data_[Ce6Ho2S12]
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/c]
_cell_length_a [6.8130]
_cell_length_b [7.4433]
_cell_length_c [12.1635]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.6115]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ce3HoS6]
_chemical_formula_sum '[Ce6 Ho2 S12]'
_cell_volume [513.6999]
_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  4  0.2118  0.0932  0.7500  1.0
  Ce  Ce1  2  0.5000  0.0000  0.5000  1.0
  Ho  Ho2  2  0.0000  0.0000  0.0000  1.0
  S  S3  4  0.0958  0.1897  0.4215  1.0
  S  S4  4  0.2400  0.6833  0.4228  1.0
  S  S5  4  0.3987  0.0640  0.2449  1.0
]