data_[Pr4Sc4Bi2As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sc  1.3600  1.6000  0.8850
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.4200]
_cell_length_b [4.4200]
_cell_length_c [16.4651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Pr2Sc2BiAs]
_chemical_formula_sum '[Pr4 Sc4 Bi2 As2]'
_cell_volume [321.6645]
_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  0.0000  0.3148  1
  Pr  Pr1  2  0.0000  0.0000  0.6702  1
  Sc  Sc2  4  0.0000  0.5000  0.0090  1
  Bi  Bi3  2  0.0000  0.0000  0.8753  1
  As  As4  2  0.0000  0.0000  0.1216  1
]