data_Ga2ReB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   136.48
_cell_angle_beta   136.48
_cell_angle_gamma   63.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2ReB
_chemical_formula_sum   'Ga2 Re1 B1'
_cell_volume   51.53
_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
  Ga  Ga1  1  0.78  0.0  0.04  1.0
  Ga  Ga2  1  0.0  0.78  0.04  1.0
  Re  Re3  1  0.0  0.0  0.08  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Ga2ReB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   121.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ga2ReB
_chemical_formula_sum   'Ga4 Re2 B2'
_cell_volume   103.07
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.35  0.39  0.74  1.0
  Re  Re1  2  0.42  0.5  0.92  1.0
  B  B2  2  0.0  0.0  0.0  1.0

Ga Ga Re B
Ga Ga Re B 0 1 + - o 0 2 + o o 1 2 o + o 2 3 o o o 