data_MnPbBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59
_cell_length_b   6.59
_cell_length_c   5.76
_cell_angle_alpha   108.41
_cell_angle_beta   108.41
_cell_angle_gamma   31.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPbBr2
_chemical_formula_sum   'Mn1 Pb1 Br2'
_cell_volume   122.28
_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
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.4  0.0  0.72  1.0
  Br  Br0  1  0.98  0.0  0.05  1.0
  Br  Br1  1  0.81  0.0  0.39  1.0

data_MnPbBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   5.76
_cell_length_c   6.59
_cell_angle_alpha   108.41
_cell_angle_beta   105.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPbBr2
_chemical_formula_sum   'Mn1 Pb1 Br2'
_cell_volume   122.28
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.72  0.4  1.0
  Br  Br2  1  0.0  0.05  0.98  1.0
  Br  Br3  1  0.0  0.39  0.81  1.0

Mn Pb Br Br