data_[Ca2Cd6Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.0661]
_cell_length_b [6.6428]
_cell_length_c [6.7631]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [CaCd3Sn]
_chemical_formula_sum '[Ca2 Cd6 Sn2]'
_cell_volume [272.5266]
_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
[
  Ca  Ca0  2  0.0000  0.2466  0.5277  1
  Cd  Cd1  4  0.2497  0.2492  0.0206  1
  Cd  Cd2  2  0.0000  0.5934  0.1797  1
  Sn  Sn3  2  0.0000  0.8919  0.8734  1
]