data_VGaRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   4.01
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGaRe2
_chemical_formula_sum   'V1 Ga1 Re2'
_cell_volume   58.29
_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
  V  V3  1  0.0  0.0  0.65  1.0
  Ga  Ga0  1  0.39  0.01  0.89  1.0
  Re  Re1  1  0.0  0.0  0.04  1.0
  Re  Re2  1  0.39  0.01  0.28  1.0

data_VGaRe2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.77
_cell_length_b   4.01
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   VGaRe2
_chemical_formula_sum   'V1 Ga1 Re2'
_cell_volume   58.29
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  V  V0  1  0.0  0.0  0.65  1.0
  Ga  Ga1  1  0.39  0.0  0.89  1.0
  Re  Re2  1  0.0  0.0  0.04  1.0
  Re  Re3  1  0.39  0.0  0.28  1.0

V Ga Re Re
V Ga Re Re 0 1 o o o 1 2 o o + 2 3 o o o 