data_[Ba3Li2Cd2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Cd  1.6900  1.5500  1.0900
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.6246]
_cell_length_b [4.6246]
_cell_length_c [16.6649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ba3Li2(CdAs2)2]
_chemical_formula_sum '[Ba3 Li2 Cd2 As4]'
_cell_volume [308.6662]
_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  2  0.0000  0.0000  0.2685  1.0
  Ba  Ba1  1  0.0000  0.0000  0.0000  1.0
  Li  Li2  2  0.3333  0.6667  0.8657  1.0
  Cd  Cd3  2  0.3333  0.6667  0.4391  1.0
  As  As4  2  0.3333  0.6667  0.1337  1.0
  As  As5  2  0.3333  0.6667  0.6106  1.0
]