data_[Ba2Mg10Pb14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [6.2747]
_cell_length_b [11.1130]
_cell_length_c [10.9371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [BaMg5Pb7]
_chemical_formula_sum '[Ba2 Mg10 Pb14]'
_cell_volume [762.6592]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.9995  1.0
  Mg  Mg1  8  0.2483  0.2492  0.2519  1.0
  Mg  Mg2  2  0.0000  0.5000  0.7312  1.0
  Pb  Pb3  4  0.0000  0.3002  0.5086  1.0
  Pb  Pb4  4  0.0000  0.3437  0.9941  1.0
  Pb  Pb5  2  0.0000  0.0000  0.3385  1.0
  Pb  Pb6  2  0.0000  0.0000  0.6440  1.0
  Pb  Pb7  2  0.0000  0.5000  0.2738  1.0
]