data_In2CoCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   4.41
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   94.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2CoCu
_chemical_formula_sum   'In2 Co1 Cu1'
_cell_volume   65.97
_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  In2  1  0.47  0.0  0.4  1.0
  In  In3  1  0.47  0.21  0.63  1.0
  Co  Co0  1  0.91  0.0  0.16  1.0
  Cu  Cu1  1  0.92  0.21  0.85  1.0

data_In2CoCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.41
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   94.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2CoCu
_chemical_formula_sum   'In2 Co1 Cu1'
_cell_volume   65.97
_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  0.47  0.21  0.63  1.0
  In  In1  1  0.47  0.0  0.4  1.0
  Co  Co2  1  0.91  0.0  0.16  1.0
  Cu  Cu3  1  0.92  0.21  0.85  1.0

In In Co Cu
In In Co Cu 0 1 o o o 0 2 o o o 0 2 - o o 1 3 o o o 2 3 o o - 