data_[Ce2Ho2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ho  1.2300  1.7500  1.0410
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8377]
_cell_length_b [3.9378]
_cell_length_c [7.8444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5703]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeHoS3]
_chemical_formula_sum '[Ce2 Ho2 S6]'
_cell_volume [241.3335]
_cell_formula_units_Z [2]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  '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
[
  Ce  Ce0  2  0.3793  0.2500  0.2315  1.0
  Ho  Ho1  2  0.1461  0.7500  0.6745  1.0
  S  S2  2  0.0984  0.7500  0.3208  1.0
  S  S3  2  0.3179  0.7500  0.9764  1.0
  S  S4  2  0.3752  0.2500  0.6151  1.0
]