data_[Mn2Ga2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ga  1.8100  1.3000  0.7600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.7619]
_cell_length_b [3.9702]
_cell_length_c [9.3565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4432]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MnGaBr3]
_chemical_formula_sum '[Mn2 Ga2 Br6]'
_cell_volume [316.5590]
_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
[
  Mn  Mn0  2  0.3694  0.2500  0.8353  1.0
  Ga  Ga1  2  0.1892  0.2500  0.4246  1.0
  Br  Br2  2  0.0649  0.2500  0.6936  1.0
  Br  Br3  2  0.3231  0.7500  0.0206  1.0
  Br  Br4  2  0.4239  0.7500  0.6577  1.0
]