data_[Pr4Sm6Si4]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9798]
_cell_length_b [4.2746]
_cell_length_c [8.5414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3505]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Sm3Si2]
_chemical_formula_sum '[Pr4 Sm6 Si4]'
_cell_volume [407.3718]
_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
[
  Pr  Pr0  4  0.1516  0.0000  0.8082  1
  Sm  Sm1  4  0.1310  0.5000  0.4422  1
  Sm  Sm2  2  0.0000  0.5000  0.0000  1
  Si  Si3  4  0.1684  0.0000  0.2070  1
]