data_[Pm4Sc12As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Sc  1.3600  1.6000  0.8850
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3895]
_cell_length_b [3.9526]
_cell_length_c [10.1103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8073]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmSc3As2]
_chemical_formula_sum '[Pm4 Sc12 As8]'
_cell_volume [570.9819]
_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
[
  Pm  Pm0  4  0.1236  0.0000  0.0345  1
  Sc  Sc1  4  0.0583  0.0000  0.3940  1
  Sc  Sc2  4  0.1202  0.5000  0.6844  1
  Sc  Sc3  4  0.2148  0.5000  0.3720  1
  As  As4  4  0.0203  0.5000  0.1875  1
  As  As5  4  0.2262  0.0000  0.8389  1
]