data_[Ba1Ca1Cd2Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P3m1]
_cell_length_a [4.9835]
_cell_length_b [4.9835]
_cell_length_c [8.2660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [BaCa(CdSn)2]
_chemical_formula_sum '[Ba1 Ca1 Cd2 Sn2]'
_cell_volume [177.7870]
_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  1  0.0000  0.0000  0.2575  1
  Ca  Ca1  1  0.0000  0.0000  0.7515  1
  Cd  Cd2  1  0.3333  0.6667  0.5719  1
  Cd  Cd3  1  0.6667  0.3333  0.0133  1
  Sn  Sn4  1  0.3333  0.6667  0.9505  1
  Sn  Sn5  1  0.6667  0.3333  0.4870  1
]