data_TiZn2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.69
_cell_angle_alpha   102.77
_cell_angle_beta   102.77
_cell_angle_gamma   35.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZn2Co
_chemical_formula_sum   'Ti1 Zn2 Co1'
_cell_volume   54.93
_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  0.28  0.0  0.23  1.0
  Zn  Zn2  1  0.02  0.0  0.11  1.0
  Zn  Zn3  1  0.38  0.0  0.06  1.0
  Co  Co0  1  0.73  0.0  0.45  1.0

data_TiZn2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.56
_cell_length_c   4.69
_cell_angle_alpha   102.77
_cell_angle_beta   90.0
_cell_angle_gamma   107.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZn2Co
_chemical_formula_sum   'Ti1 Zn2 Co1'
_cell_volume   54.93
_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  0.72  0.77  1.0
  Zn  Zn1  1  0.0  0.62  0.94  1.0
  Zn  Zn2  1  0.0  0.98  0.89  1.0
  Co  Co3  1  0.0  0.27  0.55  1.0

Ti Zn Zn Co