data_image0
_chemical_formula_structural       Zr2SeZrSe
_chemical_formula_sum              "Zr3 Se2"
_cell_length_a       3.6203117468693713
_cell_length_b       3.620311746869386
_cell_length_c       36.050538
_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
  Zr  Zr1       1.0  0.4999999990512735  0.4999999990512715  0.5  1.0000
  Zr  Zr2       1.0  3.2137136128628444e-18  0.0  0.5509410561362496  1.0000
  Se  Se1       1.0  0.4999999990512735  0.4999999990512715  0.5790195785705056  1.0000
  Zr  Zr3       1.0  2.619421487651578e-18  0.0  0.44905894386375034  1.0000
  Se  Se2       1.0  0.4999999990512735  0.4999999990512715  0.42098042142949427  1.0000