data_[Pm2Sm6Th4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Sm  1.1700  1.8500  1.2290
  Th  1.3000  1.8000  1.0800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9578]
_cell_length_b [12.0105]
_cell_length_c [7.0056]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2892]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmSm3(ThS3)2]
_chemical_formula_sum '[Pm2 Sm6 Th4 S12]'
_cell_volume [552.5697]
_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
[
  Pm  Pm0  2  0.0000  0.0000  0.0000  1
  Sm  Sm1  4  0.0000  0.1644  0.5000  1
  Sm  Sm2  2  0.0000  0.5000  0.5000  1
  Th  Th3  4  0.0000  0.3330  0.0000  1
  S  S4  8  0.2483  0.3332  0.7454  1
  S  S5  4  0.2496  0.0000  0.7480  1
]