data_[La4Sm6Th2P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  Th  1.3000  1.8000  1.0800
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1421]
_cell_length_b [4.1689]
_cell_length_c [8.3362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0888]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Sm3ThP6]
_chemical_formula_sum '[La4 Sm6 Th2 P12]'
_cell_volume [614.1171]
_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  0.1669  0.0000  0.3347  1
  Sm  Sm1  4  0.1674  0.0000  0.8330  1
  Sm  Sm2  2  0.0000  0.5000  0.5000  1
  Th  Th3  2  0.0000  0.5000  0.0000  1
  P  P4  4  0.0020  0.0000  0.7532  1
  P  P5  4  0.1646  0.5000  0.5881  1
  P  P6  4  0.1653  0.5000  0.0772  1
]