data_[Pr12Bi2As4P6]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7786]
_cell_length_b [4.2818]
_cell_length_c [8.6819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6201]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6BiAs2P3]
_chemical_formula_sum '[Pr12 Bi2 As4 P6]'
_cell_volume [678.4459]
_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  0.0013  0.0000  0.7300  1.0
  Pr  Pr1  4  0.1665  0.5000  0.5866  1.0
  Pr  Pr2  4  0.1745  0.5000  0.0840  1.0
  Bi  Bi3  2  0.0000  0.5000  0.0000  1.0
  As  As4  4  0.1670  0.0000  0.3343  1.0
  P  P5  4  0.1660  0.0000  0.8318  1.0
  P  P6  2  0.0000  0.5000  0.5000  1.0
]