data_Ga2CoRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   2.72
_cell_angle_alpha   104.26
_cell_angle_beta   104.26
_cell_angle_gamma   112.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2CoRe
_chemical_formula_sum   'Ga2 Co1 Re1'
_cell_volume   56.17
_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  0.08  0.22  1.0
  Ga  Ga2  1  0.78  0.92  0.22  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.76  0.0  0.0  1.0

data_Ga2CoRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.96
_cell_length_c   5.0
_cell_angle_alpha   118.77
_cell_angle_beta   104.26
_cell_angle_gamma   93.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2CoRe
_chemical_formula_sum   'Ga2 Co1 Re1'
_cell_volume   56.17
_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  0.13  0.92  0.69  1.0
  Ga  Ga1  1  0.3  0.08  0.86  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.76  1.0

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