data_TiCoCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   142.96
_cell_angle_beta   139.1
_cell_angle_gamma   56.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCoCu
_chemical_formula_sum   'Ti1 Co1 Cu1'
_cell_volume   38.7
_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  Ti2  1  0.0  0.0  0.8  1.0
  Co  Co0  1  0.0  0.0  0.09  1.0
  Cu  Cu1  1  0.0  0.0  0.42  1.0

data_TiCoCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   3.23
_cell_length_c   4.62
_cell_angle_alpha   110.45
_cell_angle_beta   108.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCoCu
_chemical_formula_sum   'Ti1 Co1 Cu1'
_cell_volume   38.7
_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  0.2  0.2  0.2  1.0
  Co  Co1  1  0.91  0.91  0.91  1.0
  Cu  Cu2  1  0.58  0.58  0.58  1.0

Ti Co Cu
Ti Co Cu 0 1 o o + 0 2 o o o 1 2 o o o 