data_[Ta2Cd1Sb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Cd  1.6900  1.5500  1.0900
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.0225]
_cell_length_b [4.7969]
_cell_length_c [5.6679]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1145]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ta2CdSb]
_chemical_formula_sum '[Ta2 Cd1 Sb1]'
_cell_volume [80.3476]
_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
[
  Ta  Ta0  1  0.8140  0.5000  0.2541  1
  Ta  Ta1  1  0.9545  0.0000  0.9964  1
  Cd  Cd2  1  0.4685  0.0000  0.4738  1
  Sb  Sb3  1  0.2630  0.5000  0.7757  1
]