data_image0
_chemical_formula_structural       ZrS2Zr
_chemical_formula_sum              "Zr2 S2"
_cell_length_a       3.5789649193644464
_cell_length_b       3.5789649193644464
_cell_length_c       20.699664770937428
_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  0.33339619528942266  0.6667175980044472  0.570804368609343  1.0000
  S   S1        1.0  0.6667032564822515  0.33335436921910216  0.3623247082981792  1.0000
  S   S2        1.0  0.9999991632544774  5.049242960683826e-05  0.6376752916565337  1.0000
  Zr  Zr2       1.0  0.33341350790119745  0.6669018195532089  0.42919567723983293  1.0000