data_Mn2GaBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02
_cell_length_b   4.02
_cell_length_c   6.46
_cell_angle_alpha   104.91
_cell_angle_beta   104.91
_cell_angle_gamma   49.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2GaBr
_chemical_formula_sum   'Mn2 Ga1 Br1'
_cell_volume   75.53
_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  0.37  0.0  0.98  1.0
  Mn  Mn3  1  0.11  0.0  0.22  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.74  0.0  0.1  1.0

data_Mn2GaBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.02
_cell_length_c   6.46
_cell_angle_alpha   104.91
_cell_angle_beta   90.0
_cell_angle_gamma   114.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2GaBr
_chemical_formula_sum   'Mn2 Ga1 Br1'
_cell_volume   75.53
_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  0.63  0.02  1.0
  Mn  Mn1  1  0.0  0.89  0.78  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.0  0.26  0.9  1.0

Mn Mn Ga Br