data_image0
_chemical_formula_structural       Se6Zr2
_chemical_formula_sum              "Se6 Zr2"
_cell_length_a       5.458352292281985
_cell_length_b       3.78266
_cell_length_c       9.714852453692234
_cell_angle_alpha    90.0
_cell_angle_beta     97.20720484550802
_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
  Se  Se1       1.0  0.8909946015999999  0.2500013218  0.17329338519999998  1.0000
  Se  Se2       1.0  0.45597004079999987  0.2500013218  0.17881893479999997  1.0000
  Se  Se3       1.0  0.23719217809999998  0.7500013218  0.44661063629999986  1.0000
  Se  Se4       1.0  0.7628083479999999  0.2500013218  0.5533892595  1.0000
  Se  Se5       1.0  0.5440288880999999  0.7500013218  0.8211820000999999  1.0000
  Se  Se6       1.0  0.10900592449999998  0.7500013218  0.8267065105999999  1.0000
  Zr  Zr1       1.0  0.7149413889999999  0.7500013218  0.34540619409999995  1.0000
  Zr  Zr2       1.0  0.28505937159999994  0.2500013218  0.6545947391999999  1.0000