data_[Y2Ti2Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ti  1.5400  1.4000  0.8517
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.4822]
_cell_length_b [3.4822]
_cell_length_c [12.2147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [YTiCu]
_chemical_formula_sum '[Y2 Ti2 Cu2]'
_cell_volume [128.2700]
_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
[
  Y  Y0  2  0.3333  0.6667  0.3278  1
  Ti  Ti1  2  0.0000  0.0000  0.1287  1
  Cu  Cu2  1  0.0000  0.0000  0.5000  1
  Cu  Cu3  1  0.3333  0.6667  0.0000  1
]