data_[Ti4Co4Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Co  1.8800  1.3500  0.7683
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.7918]
_cell_length_b [6.7918]
_cell_length_c [2.8770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ti2Co2Cu]
_chemical_formula_sum '[Ti4 Co4 Cu2]'
_cell_volume [132.7123]
_cell_formula_units_Z [2]
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  4  0.1641  0.3359  0.5000  1.0
  Co  Co1  4  0.1366  0.6366  0.0000  1.0
  Cu  Cu2  2  0.0000  0.0000  0.0000  1.0
]