data_Mg2PbBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   6.36
_cell_angle_alpha   139.5
_cell_angle_beta   139.5
_cell_angle_gamma   58.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2PbBr
_chemical_formula_sum   'Mg2 Pb1 Br1'
_cell_volume   107.73
_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  0.0  0.2  0.77  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.2  0.0  0.77  1.0
  Br  Br0  1  0.0  0.0  0.55  1.0

data_Mg2PbBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   6.36
_cell_angle_alpha   110.25
_cell_angle_beta   110.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2PbBr
_chemical_formula_sum   'Mg2 Pb1 Br1'
_cell_volume   107.73
_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  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.57  0.77  0.57  1.0
  Pb  Pb2  1  0.77  0.57  0.57  1.0
  Br  Br3  1  0.55  0.55  0.55  1.0

Mg Mg Pb Br