data_Ga2ReNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   137.22
_cell_angle_beta   137.22
_cell_angle_gamma   62.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2ReNi
_chemical_formula_sum   'Ga2 Re1 Ni1'
_cell_volume   55.37
_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  0.24  1.0
  Ga  Ga1  1  0.0  0.81  0.12  1.0
  Re  Re3  1  0.81  0.0  0.12  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0

data_Ga2ReNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   3.61
_cell_length_c   4.95
_cell_angle_alpha   111.39
_cell_angle_beta   111.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2ReNi
_chemical_formula_sum   'Ga2 Re1 Ni1'
_cell_volume   55.37
_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  0.68  0.81  0.68  1.0
  Ga  Ga1  1  0.76  0.0  0.76  1.0
  Re  Re2  1  0.88  0.0  0.68  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

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