data_[Ce4Sm6Y2S12]
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
  Y  1.2200  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9321]
_cell_length_b [12.0250]
_cell_length_c [6.9202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7284]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Sm3YS6]
_chemical_formula_sum '[Ce4 Sm6 Y2 S12]'
_cell_volume [543.0019]
_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  0.0000  0.3339  0.0000  1.0
  Sm  Sm1  4  0.0000  0.1667  0.5000  1.0
  Sm  Sm2  2  0.0000  0.5000  0.5000  1.0
  Y  Y3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2470  0.1644  0.2482  1.0
  S  S5  4  0.2454  0.0000  0.7512  1.0
]