data_[Ti2Cu1Sb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.8079]
_cell_length_b [3.8079]
_cell_length_c [8.2739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ti2CuSb3]
_chemical_formula_sum '[Ti2 Cu1 Sb3]'
_cell_volume [119.9759]
_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  2  0.0000  0.5000  0.7374  1.0
  Cu  Cu1  1  0.0000  0.0000  0.0000  1.0
  Sb  Sb2  2  0.0000  0.5000  0.3749  1.0
  Sb  Sb3  1  0.5000  0.5000  0.0000  1.0
]