data_CrGa2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   3.48
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGa2Co
_chemical_formula_sum   'Cr1 Ga2 Co1'
_cell_volume   51.73
_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
  Cr  Cr1  1  0.0  0.0  0.02  1.0
  Ga  Ga2  1  0.38  0.74  0.29  1.0
  Ga  Ga3  1  0.0  0.0  0.47  1.0
  Co  Co0  1  0.38  0.74  0.72  1.0

data_CrGa2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   3.48
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGa2Co
_chemical_formula_sum   'Cr1 Ga2 Co1'
_cell_volume   51.73
_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
  Cr  Cr0  1  0.0  0.0  0.02  1.0
  Ga  Ga1  1  0.0  0.0  0.47  1.0
  Ga  Ga2  1  0.38  0.74  0.29  1.0
  Co  Co3  1  0.38  0.74  0.72  1.0

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