data_[Pr12Bi2As6Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9902]
_cell_length_b [4.3532]
_cell_length_c [8.7394]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6595]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6BiAs3Se2]
_chemical_formula_sum '[Pr12 Bi2 As6 Se4]'
_cell_volume [702.0379]
_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  0.0009  0.0000  0.7354  1.0
  Pr  Pr1  4  0.1645  0.5000  0.5896  1.0
  Pr  Pr2  4  0.1726  0.5000  0.0796  1.0
  Bi  Bi3  2  0.0000  0.5000  0.0000  1.0
  As  As4  4  0.1656  0.0000  0.8314  1.0
  As  As5  2  0.0000  0.5000  0.5000  1.0
  Se  Se6  4  0.1687  0.0000  0.3363  1.0
]