data_[Pr2Sm8Sc6]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.1973]
_cell_length_b [7.1540]
_cell_length_c [6.1379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [PrSm4Sc3]
_chemical_formula_sum '[Pr2 Sm8 Sc6]'
_cell_volume [491.6801]
_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  2  0.0000  0.3820  0.1515  1.0
  Sm  Sm1  4  0.2424  0.8670  0.4876  1.0
  Sm  Sm2  2  0.0000  0.1341  0.6492  1.0
  Sm  Sm3  2  0.0000  0.8640  0.1311  1.0
  Sc  Sc4  4  0.2487  0.3846  0.4788  1.0
  Sc  Sc5  2  0.0000  0.6164  0.6508  1.0
]