data_[Mg2Pb2Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.4920]
_cell_length_b [3.5316]
_cell_length_c [6.1050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4347]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgPbBr2]
_chemical_formula_sum '[Mg2 Pb2 Br4]'
_cell_volume [263.0176]
_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  2  0.0201  0.5000  0.6528  1
  Pb  Pb1  2  0.3338  0.5000  0.2911  1
  Br  Br2  2  0.1706  0.0000  0.6025  1
  Br  Br3  2  0.4754  0.5000  0.9537  1
]