data_[Pm2Mg4Bi6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Mg  1.3100  1.5000  0.8600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.4002]
_cell_length_b [12.0905]
_cell_length_c [6.7314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [PmMg2Bi3]
_chemical_formula_sum '[Pm2 Mg4 Bi6]'
_cell_volume [358.1185]
_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
[
  Pm  Pm0  2  0.0000  0.1177  0.9867  1
  Mg  Mg1  2  0.0000  0.2323  0.5020  1
  Mg  Mg2  2  0.5000  0.4625  0.5312  1
  Bi  Bi3  2  0.0000  0.3856  0.8424  1
  Bi  Bi4  2  0.5000  0.0713  0.6294  1
  Bi  Bi5  2  0.5000  0.2790  0.2096  1
]