data_InGaCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   3.3
_cell_length_c   6.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGaCo2
_chemical_formula_sum   'In1 Ga1 Co2'
_cell_volume   59.95
_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
  In  In3  1  0.48  0.65  0.81  1.0
  Ga  Ga2  1  0.0  0.0  0.69  1.0
  Co  Co0  1  0.0  0.0  0.22  1.0
  Co  Co1  1  0.48  0.65  0.51  1.0

data_InGaCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   3.3
_cell_length_c   6.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGaCo2
_chemical_formula_sum   'In1 Ga1 Co2'
_cell_volume   59.95
_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
  In  In0  1  0.48  0.65  0.81  1.0
  Ga  Ga1  1  0.0  0.0  0.69  1.0
  Co  Co2  1  0.0  0.0  0.22  1.0
  Co  Co3  1  0.48  0.65  0.51  1.0

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