data_TiZnCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   143.2
_cell_angle_beta   139.68
_cell_angle_gamma   55.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZnCo
_chemical_formula_sum   'Ti1 Zn1 Co1'
_cell_volume   39.64
_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
  Ti  Ti1  1  0.0  0.0  0.89  1.0
  Zn  Zn2  1  0.0  0.0  0.48  1.0
  Co  Co0  1  0.0  0.0  0.22  1.0

data_TiZnCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   3.23
_cell_length_c   4.69
_cell_angle_alpha   110.16
_cell_angle_beta   108.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZnCo
_chemical_formula_sum   'Ti1 Zn1 Co1'
_cell_volume   39.64
_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
  Ti  Ti0  1  0.0  0.89  0.89  1.0
  Zn  Zn1  1  0.0  0.48  0.48  1.0
  Co  Co2  1  0.0  0.22  0.22  1.0

Ti Zn Co
Ti Zn Co 0 2 o o + 1 2 o o o 