data_image0
_chemical_formula_structural       Se2Zr
_chemical_formula_sum              "Se2 Zr1"
_cell_length_a       3.7930160065509875
_cell_length_b       3.792954416224113
_cell_length_c       6.326210013338239
_cell_angle_alpha    89.99999579066431
_cell_angle_beta     90.00654750179582
_cell_angle_gamma    119.99945251274515

_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  0.3333790482000001  0.6666899401000002  0.2526020071  1.0000
  Se  Se2       1.0  0.6666234062000002  0.3333112776000001  0.7473979930000001  1.0000
  Zr  Zr1       1.0  0.0  0.0  0.0  1.0000