data_image0
_chemical_formula_structural       Zr2Se2
_chemical_formula_sum              "Zr2 Se2"
_cell_length_a       3.5957354793906005
_cell_length_b       3.5957354793906005
_cell_length_c       20.963209299108133
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.00000000000001

_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  0.6666666661925704  0.3333333322156623  0.4344986094465753  1.0000
  Zr  Zr2       1.0  0.6666666661925704  0.3333333322156623  0.5655015713888976  1.0000
  Se  Se1       1.0  0.3333333338213151  0.6666666676426302  0.35757307447762343  1.0000
  Se  Se2       1.0  0.3333333338213151  0.6666666676426302  0.6424270934781422  1.0000