data_image0
_chemical_formula_structural       Zr2Se2
_chemical_formula_sum              "Zr2 Se2"
_cell_length_a       4.476881791871135
_cell_length_b       4.476881829860631
_cell_length_c       18.40654762
_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  0.0  0.0  0.5000000005432849  1.0000
  Zr  Zr2       1.0  0.5000000009078712  0.49999999889871655  0.4999999989134301  1.0000
  Se  Se1       1.0  0.0  0.49999999889871655  0.4195508473087578  1.0000
  Se  Se2       1.0  0.5000000009078712  1.3462008618245001e-20  0.5804491521479572  1.0000