data_[Pr12Sm4Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8050]
_cell_length_b [4.6268]
_cell_length_c [9.3290]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0543]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3SmGa2]
_chemical_formula_sum '[Pr12 Sm4 Ga8]'
_cell_volume [707.1462]
_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
[
  Pr  Pr0  4  0.0461  0.0000  0.6879  1.0
  Pr  Pr1  4  0.1503  0.5000  0.4764  1.0
  Pr  Pr2  4  0.1793  0.5000  0.9334  1.0
  Sm  Sm3  4  0.1164  0.0000  0.1403  1.0
  Ga  Ga4  4  0.0044  0.5000  0.1424  1.0
  Ga  Ga5  4  0.2328  0.0000  0.7138  1.0
]