data_[Zr1Ta2Cd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ta  1.5000  1.4500  0.8200
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.8439]
_cell_length_b [5.0798]
_cell_length_c [5.5462]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3115]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [ZrTa2Cd]
_chemical_formula_sum '[Zr1 Ta2 Cd1]'
_cell_volume [79.4716]
_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
[
  Zr  Zr0  1  0.5000  0.5000  0.0000  1
  Ta  Ta1  2  0.2359  0.0000  0.2357  1
  Cd  Cd2  1  0.0000  0.5000  0.5000  1
]