data_[Pm6Sm8Sc2]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.5379]
_cell_length_b [7.2954]
_cell_length_c [6.2956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Pm3Sm4Sc]
_chemical_formula_sum '[Pm6 Sm8 Sc2]'
_cell_volume [529.9185]
_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
[
  Pm  Pm0  4  0.2491  0.6214  0.9778  1
  Pm  Pm1  2  0.0000  0.6241  0.6470  1
  Sm  Sm2  4  0.2438  0.1282  0.9859  1
  Sm  Sm3  2  0.0000  0.1274  0.6431  1
  Sm  Sm4  2  0.0000  0.8732  0.1526  1
  Sc  Sc5  2  0.0000  0.3764  0.1453  1
]