data_image0
_chemical_formula_structural       ZrSe2
_chemical_formula_sum              "Zr1 Se2"
_cell_length_a       3.7948378824135367
_cell_length_b       3.7948378824135367
_cell_length_c       18.150470471839412
_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  1.8640186699175518e-21  0.0  0.5000000002248037  1.0000
  Se  Se1       1.0  0.6666666668855357  0.3333333344070765  0.5870834343678647  1.0000
  Se  Se2       1.0  0.33333333288566686  0.6666666657713338  0.4129165655307929  1.0000