data_[Mg14Bi2Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8263]
_cell_length_b [9.9871]
_cell_length_c [8.2479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6216]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg7BiPb3]
_chemical_formula_sum '[Mg14 Bi2 Pb6]'
_cell_volume [666.0817]
_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
[
  Mg  Mg0  8  0.1309  0.2529  0.7505  1
  Mg  Mg1  4  0.1450  0.0000  0.2779  1
  Mg  Mg2  2  0.0000  0.5000  0.0000  1
  Bi  Bi3  2  0.0000  0.0000  0.5000  1
  Pb  Pb4  4  0.0000  0.2230  0.0000  1
  Pb  Pb5  2  0.0000  0.5000  0.5000  1
]