data_[Ti4Ga2Cu6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.7170]
_cell_length_b [2.7531]
_cell_length_c [23.8160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Ti2GaCu3]
_chemical_formula_sum '[Ti4 Ga2 Cu6]'
_cell_volume [178.1514]
_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  2  0.0000  0.0000  0.8740  1
  Ti  Ti1  2  0.0000  0.5000  0.6271  1
  Ga  Ga2  2  0.0000  0.5000  0.0438  1
  Cu  Cu3  2  0.0000  0.0000  0.2943  1
  Cu  Cu4  2  0.0000  0.0000  0.4538  1
  Cu  Cu5  2  0.0000  0.5000  0.2071  1
]