data_GaFe2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   141.7
_cell_angle_beta   129.23
_cell_angle_gamma   65.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFe2Co
_chemical_formula_sum   'Ga1 Fe2 Co1'
_cell_volume   48.17
_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  Ga3  1  0.53  0.0  0.01  1.0
  Fe  Fe1  1  0.53  0.0  0.93  1.0
  Fe  Fe2  1  0.0  0.0  0.84  1.0
  Co  Co0  1  0.0  0.0  0.01  1.0

data_GaFe2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.0
_cell_length_c   4.67
_cell_angle_alpha   115.39
_cell_angle_beta   109.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFe2Co
_chemical_formula_sum   'Ga1 Fe2 Co1'
_cell_volume   48.17
_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  0.0  0.01  0.48  1.0
  Fe  Fe1  1  0.0  0.84  0.84  1.0
  Fe  Fe2  1  0.0  0.93  0.4  1.0
  Co  Co3  1  0.0  0.01  0.01  1.0

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