data_[Pm2Sm4Th6Te12]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.9224]
_cell_length_b [4.3742]
_cell_length_c [9.0982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7790]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmSm2(ThTe2)3]
_chemical_formula_sum '[Pm2 Sm4 Th6 Te12]'
_cell_volume [750.6606]
_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  0.5000  0.0000  1
  Sm  Sm1  4  0.1669  0.0000  0.3320  1
  Th  Th2  4  0.1656  0.0000  0.8309  1
  Th  Th3  2  0.0000  0.5000  0.5000  1
  Te  Te4  4  0.0021  0.0000  0.2479  1
  Te  Te5  4  0.1660  0.5000  0.0857  1
  Te  Te6  4  0.1680  0.5000  0.5783  1
]