data_[Mg4Cd5Sn1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P4/mmm]
_cell_length_a [3.6251]
_cell_length_b [3.6251]
_cell_length_c [17.1601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Mg4Cd5Sn]
_chemical_formula_sum '[Mg4 Cd5 Sn1]'
_cell_volume [225.5127]
_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  2  0.0000  0.0000  0.2134  1
  Mg  Mg1  2  0.0000  0.0000  0.4047  1
  Cd  Cd2  2  0.5000  0.5000  0.1176  1
  Cd  Cd3  2  0.5000  0.5000  0.3097  1
  Cd  Cd4  1  0.5000  0.5000  0.5000  1
  Sn  Sn5  1  0.0000  0.0000  0.0000  1
]