data_TiZn2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.61
_cell_length_b   4.24
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   104.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZn2Co
_chemical_formula_sum   'Ti1 Zn2 Co1'
_cell_volume   54.89
_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  0.0  1.0
  Zn  Zn2  1  0.2  0.12  0.32  1.0
  Zn  Zn3  1  0.16  0.12  0.63  1.0
  Co  Co0  1  0.37  0.0  0.48  1.0

data_TiZn2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.61
_cell_length_b   4.24
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   104.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZn2Co
_chemical_formula_sum   'Ti1 Zn2 Co1'
_cell_volume   54.89
_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  0.0  0.0  1.0
  Zn  Zn1  1  0.16  0.12  0.63  1.0
  Zn  Zn2  1  0.2  0.12  0.32  1.0
  Co  Co3  1  0.37  0.0  0.48  1.0

Ti Zn Zn Co
Ti Zn Zn Co 0 1 o o o 1 3 o o o 2 3 o o o 