data_[Pm12Sm4As12]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [8.9594]
_cell_length_b [8.9594]
_cell_length_c [8.9594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [Pm3SmAs3]
_chemical_formula_sum '[Pm12 Sm4 As12]'
_cell_volume [719.1698]
_cell_formula_units_Z [4]
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  4  0.0661  0.4339  0.5661  1
  Pm  Pm1  4  0.1835  0.8165  0.3165  1
  Pm  Pm2  4  0.1837  0.1837  0.1837  1
  Sm  Sm3  4  0.0663  0.5663  0.9337  1
  As  As4  12  0.0002  0.2508  0.8745  1
]