data_image0
_chemical_formula_structural       CuVCl6
_chemical_formula_sum              "Cu1 V1 Cl6"
_cell_length_a       19.99822302658624
_cell_length_b       19.46144510352153
_cell_length_c       6.022578423944094
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    90.0

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  'x, y, z'

loop_
  _atom_site_type_symbol
  _atom_site_label
  _atom_site_symmetry_multiplicity
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_occupancy
  Cu  Cu1       1.0  0.501294121314619  0.4498774817486193  0.011461059488925543  1.0000
  V   V1        1.0  0.5015953963043551  0.5194815842128754  0.5117854262812811  1.0000
  Cl  Cl1       1.0  0.4481935998875855  0.5950751905727343  0.3100578560145515  1.0000
  Cl  Cl2       1.0  0.5824812493262946  0.49977796144838305  0.2564981850289092  1.0000
  Cl  Cl3       1.0  0.560241372805939  0.4231733918298293  0.7101311098433799  1.0000
  Cl  Cl4       1.0  0.5559854353954135  0.5942126917100322  0.7139355995188419  1.0000
  Cl  Cl5       1.0  0.42040676288179296  0.5008510613889458  0.7663391420434804  1.0000
  Cl  Cl6       1.0  0.4414888589987411  0.4243345607976839  0.31194470872431224  1.0000