data_GaRuBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   6.7
_cell_angle_alpha   105.02
_cell_angle_beta   105.02
_cell_angle_gamma   54.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaRuBr2
_chemical_formula_sum   'Ga1 Ru1 Br2'
_cell_volume   93.0
_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  Ga2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.79  0.0  0.2  1.0
  Br  Br0  1  0.31  0.0  0.02  1.0
  Br  Br1  1  0.27  0.0  0.39  1.0

data_GaRuBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   4.23
_cell_length_c   6.7
_cell_angle_alpha   105.02
_cell_angle_beta   90.0
_cell_angle_gamma   117.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaRuBr2
_chemical_formula_sum   'Ga1 Ru1 Br2'
_cell_volume   93.0
_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  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.21  0.8  1.0
  Br  Br2  1  0.0  0.69  0.98  1.0
  Br  Br3  1  0.0  0.73  0.61  1.0

Ga Ru Br Br