data_Mg2PbBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64
_cell_length_b   5.76
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2PbBr
_chemical_formula_sum   'Mg2 Pb1 Br1'
_cell_volume   105.34
_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
  Mg  Mg1  1  0.33  0.88  0.45  1.0
  Mg  Mg2  1  0.12  0.0  0.53  1.0
  Pb  Pb3  1  0.43  0.88  0.95  1.0
  Br  Br0  1  0.11  0.0  0.59  1.0

data_Mg2PbBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   5.02
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2PbBr
_chemical_formula_sum   'Mg2 Pb1 Br1'
_cell_volume   105.34
_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
  Mg  Mg0  1  0.67  0.55  0.12  1.0
  Mg  Mg1  1  0.88  0.47  0.0  1.0
  Pb  Pb2  1  0.57  0.05  0.12  1.0
  Br  Br3  1  0.89  0.41  0.0  1.0

Mg Mg Pb Br