data_[Mg2Cd2Sn2]
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 [P1]
_cell_length_a [4.6735]
_cell_length_b [5.5818]
_cell_length_c [6.2807]
_cell_angle_alpha [107.0310]
_cell_angle_beta [92.4634]
_cell_angle_gamma [110.6196]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgCdSn]
_chemical_formula_sum '[Mg2 Cd2 Sn2]'
_cell_volume [144.6537]
_cell_formula_units_Z [2]
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  0.3231  0.3899  0.7750  1.0
  Mg  Mg1  1  0.6558  0.0465  0.4205  1.0
  Cd  Cd2  1  0.3252  0.3819  0.2870  1.0
  Cd  Cd3  1  0.9784  0.6974  0.5969  1.0
  Sn  Sn4  1  0.0001  0.7182  0.1044  1.0
  Sn  Sn5  1  0.6473  0.0569  0.9175  1.0
]