data_ZrInCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   3.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInCo
_chemical_formula_sum   'Zr1 In1 Co1'
_cell_volume   54.69
_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
  Zr  Zr2  1  0.0  0.6  0.15  1.0
  In  In1  1  0.25  0.3  0.6  1.0
  Co  Co0  1  0.0  0.0  0.37  1.0

data_ZrInCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.5
_cell_length_c   4.5
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInCo
_chemical_formula_sum   'Zr1 In1 Co1'
_cell_volume   54.69
_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
  Zr  Zr0  1  0.15  0.0  0.6  1.0
  In  In1  1  0.6  0.25  0.3  1.0
  Co  Co2  1  0.37  0.0  0.0  1.0

Zr In Co
Zr In Co 0 2 o + o 1 2 o o o 