data_[La6Pr4Bi6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.6828]
_cell_length_b [9.6828]
_cell_length_c [6.7092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [193]
_chemical_formula_structural [La3Pr2Bi3]
_chemical_formula_sum '[La6 Pr4 Bi6]'
_cell_volume [544.7533]
_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
[
  La  La0  6  0.0000  0.2507  0.7500  1
  Pr  Pr1  4  0.3333  0.6667  0.0000  1
  Bi  Bi2  6  0.0000  0.3871  0.2500  1
]