data_[Ce2Sm4Ho6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2393]
_cell_length_b [3.9101]
_cell_length_c [7.9182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9924]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeSm2(HoS2)3]
_chemical_formula_sum '[Ce2 Sm4 Ho6 S12]'
_cell_volume [517.9000]
_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  0.0000  0.5000  0.0000  1.0
  Sm  Sm1  4  0.1656  0.0000  0.3306  1.0
  Ho  Ho2  4  0.1665  0.0000  0.8352  1.0
  Ho  Ho3  2  0.0000  0.5000  0.5000  1.0
  S  S4  4  0.0027  0.0000  0.7419  1.0
  S  S5  4  0.1647  0.5000  0.5902  1.0
  S  S6  4  0.1701  0.5000  0.0773  1.0
]