data_[Ba1Mg1Pb2I8]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3108]
_cell_length_b [9.7087]
_cell_length_c [7.7329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2953]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BaMg(PbI4)2]
_chemical_formula_sum '[Ba1 Mg1 Pb2 I8]'
_cell_volume [548.7286]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1.0
  Mg  Mg1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  2  0.5000  0.2325  0.5000  1.0
  I  I3  4  0.2372  0.2141  0.1491  1.0
  I  I4  2  0.2378  0.0000  0.6700  1.0
  I  I5  2  0.2699  0.5000  0.6400  1.0
]