data_[Mg1Ta1Cd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  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 [2.9273]
_cell_length_b [4.5400]
_cell_length_c [6.1224]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1475]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [MgTaCd2]
_chemical_formula_sum '[Mg1 Ta1 Cd2]'
_cell_volume [79.8298]
_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
[
  Mg  Mg0  1  0.5000  0.5000  0.0000  1
  Ta  Ta1  1  0.5000  0.5000  0.5000  1
  Cd  Cd2  2  0.0493  0.0000  0.7430  1
]