data_[Ti14In2Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.2479]
_cell_length_b [12.7446]
_cell_length_c [4.3471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ti7InCu2]
_chemical_formula_sum '[Ti14 In2 Cu4]'
_cell_volume [401.5433]
_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  8  0.1831  0.1187  0.5000  1
  Ti  Ti1  4  0.0000  0.2346  0.0000  1
  Ti  Ti2  2  0.0000  0.5000  0.5000  1
  In  In3  2  0.0000  0.0000  0.0000  1
  Cu  Cu4  4  0.0000  0.3047  0.5000  1
]