data_[Ta3Cd1O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.2784]
_cell_length_b [2.7781]
_cell_length_c [7.0878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3205]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ta3CdO4]
_chemical_formula_sum '[Ta3 Cd1 O4]'
_cell_volume [100.7039]
_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  0.0000  0.0000  0.5000  1
  Ta  Ta1  1  0.5000  0.5000  0.0000  1
  Ta  Ta2  1  0.5000  0.5000  0.5000  1
  Cd  Cd3  1  0.0000  0.0000  0.0000  1
  O  O4  2  0.1223  0.5000  0.3164  1
  O  O5  2  0.4047  0.0000  0.7378  1
]