data_image0
_chemical_formula_structural       ZrSe2Zr
_chemical_formula_sum              "Zr2 Se2"
_cell_length_a       3.616318063146676
_cell_length_b       3.616318063146676
_cell_length_c       21.012571247512767
_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  0.3333651989889196  0.6666742414129425  0.5674153172192714  1.0000
  Se  Se1       1.0  0.6666876561404258  0.33333146745012737  0.35692918832519205  1.0000
  Se  Se2       1.0  3.891182858118038e-08  4.3945646461985614e-05  0.6430708117931767  1.0000
  Zr  Zr2       1.0  0.33338558877329677  0.6668273119895421  0.43258497796055967  1.0000