data_[Pr12Si4Bi2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Si  1.9000  1.1000  0.5400
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9551]
_cell_length_b [4.3482]
_cell_length_c [8.7868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8528]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Si2BiSe3]
_chemical_formula_sum '[Pr12 Si4 Bi2 Se6]'
_cell_volume [706.0640]
_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  0.0060  0.0000  0.2646  1.0
  Pr  Pr1  4  0.1701  0.5000  0.5782  1.0
  Pr  Pr2  4  0.1721  0.5000  0.1002  1.0
  Si  Si3  4  0.1676  0.0000  0.3356  1.0
  Bi  Bi4  2  0.0000  0.5000  0.0000  1.0
  Se  Se5  4  0.1643  0.0000  0.8341  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]