data_[La4Pm2Sm6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pm  1.1300  1.8500  1.1100
  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 [17.6994]
_cell_length_b [4.0452]
_cell_length_c [8.1664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4818]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Pm(SmS2)3]
_chemical_formula_sum '[La4 Pm2 Sm6 S12]'
_cell_volume [568.5899]
_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
[
  La  La0  4  0.1659  0.0000  0.3322  1
  Pm  Pm1  2  0.0000  0.5000  0.0000  1
  Sm  Sm2  4  0.1671  0.0000  0.8337  1
  Sm  Sm3  2  0.0000  0.5000  0.5000  1
  S  S4  4  0.0028  0.0000  0.7498  1
  S  S5  4  0.1645  0.5000  0.5891  1
  S  S6  4  0.1667  0.5000  0.0761  1
]