data_[Ce6Pr4Sm2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0070]
_cell_length_b [12.1720]
_cell_length_c [6.9937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8870]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3Pr2SmS6]
_chemical_formula_sum '[Ce6 Pr4 Sm2 S12]'
_cell_volume [560.9133]
_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  0.1683  0.5000  1.0
  Ce  Ce1  2  0.0000  0.5000  0.5000  1.0
  Pr  Pr2  4  0.0000  0.3335  0.0000  1.0
  Sm  Sm3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2480  0.1642  0.2524  1.0
  S  S5  4  0.2440  0.0000  0.7457  1.0
]