data_[Pr6Sm2Co2]
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
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.7282]
_cell_length_b [6.5623]
_cell_length_c [6.3876]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Pr3SmCo]
_chemical_formula_sum '[Pr6 Sm2 Co2]'
_cell_volume [323.9452]
_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  0.2493  0.6735  0.4259  1.0
  Pr  Pr1  2  0.0000  0.8458  0.9235  1.0
  Sm  Sm2  2  0.0000  0.1604  0.4271  1.0
  Co  Co3  2  0.0000  0.4972  0.1758  1.0
]