data_[Pr24Mg3Bi18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.6431]
_cell_length_b [9.6431]
_cell_length_c [19.8188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pr8MgBi6]
_chemical_formula_sum '[Pr24 Mg3 Bi18]'
_cell_volume [1596.0335]
_cell_formula_units_Z [3]
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  18  0.0047  0.7187  0.0933  1
  Pr  Pr1  6  0.0000  0.0000  0.3316  1
  Mg  Mg2  3  0.0000  0.0000  0.0000  1
  Bi  Bi3  18  0.0026  0.6309  0.9244  1
]