data_[Ga3Br7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [10.2090]
_cell_length_b [12.0535]
_cell_length_c [15.1552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [114.6306]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ga3Br7]
_chemical_formula_sum '[Ga3 Br7]'
_cell_volume [1695.2310]
_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
[
  Ga  Ga0  1  0.0450  0.2568  0.5000  1
  Ga  Ga1  1  0.2037  0.9967  0.5000  1
  Ga  Ga2  1  0.7858  0.7466  0.5002  1
  Br  Br3  1  0.2072  0.8115  0.5044  1
  Br  Br4  1  0.2385  0.4511  0.5044  1
  Br  Br5  1  0.3950  0.1787  0.4953  1
  Br  Br6  1  0.5607  0.7586  0.5054  1
  Br  Br7  1  0.7835  0.5509  0.4952  1
  Br  Br8  1  0.8095  0.2486  0.4951  1
  Br  Br9  1  0.9711  0.0005  0.5001  1
]