data_[Ga2Mo2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Mo  2.1600  1.4500  0.7750
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.5446]
_cell_length_b [3.3111]
_cell_length_c [9.5565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8906]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [GaMoBr]
_chemical_formula_sum '[Ga2 Mo2 Br2]'
_cell_volume [142.4376]
_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
[
  Ga  Ga0  2  0.4963  0.7500  0.8841  1
  Mo  Mo1  2  0.0244  0.2500  0.9038  1
  Br  Br2  2  0.1929  0.2500  0.3307  1
]