data_[Mg2Cd2In6Sn2]
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
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1999]
_cell_length_b [4.6715]
_cell_length_c [9.7729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0120]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MgCdIn3Sn]
_chemical_formula_sum '[Mg2 Cd2 In6 Sn2]'
_cell_volume [308.8608]
_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  2  0.4952  0.2500  0.3731  1.0
  Cd  Cd1  2  0.1742  0.7500  0.3108  1.0
  In  In2  2  0.1662  0.2500  0.0379  1.0
  In  In3  2  0.1711  0.7500  0.7957  1.0
  In  In4  2  0.1730  0.2500  0.5313  1.0
  Sn  Sn5  2  0.4930  0.7500  0.1467  1.0
]