data_[Ba2Mg1Cd3Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.9454]
_cell_length_b [4.9454]
_cell_length_c [12.3358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ba2MgCd3Sn4]
_chemical_formula_sum '[Ba2 Mg1 Cd3 Sn4]'
_cell_volume [301.6994]
_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
[
  Ba  Ba0  2  0.0000  0.5000  0.7503  1.0
  Mg  Mg1  1  0.5000  0.5000  0.5000  1.0
  Cd  Cd2  2  0.0000  0.5000  0.1362  1.0
  Cd  Cd3  1  0.0000  0.0000  0.5000  1.0
  Sn  Sn4  2  0.0000  0.5000  0.3664  1.0
  Sn  Sn5  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn6  1  0.5000  0.5000  0.0000  1.0
]