data_[Li2Cd2As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P3m1]
_cell_length_a [4.4357]
_cell_length_b [4.4357]
_cell_length_c [19.9566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [LiCdAs]
_chemical_formula_sum '[Li2 Cd2 As2]'
_cell_volume [340.0565]
_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
[
  Li  Li0  1  0.3333  0.6667  0.4582  1
  Li  Li1  1  0.6667  0.3333  0.5411  1
  Cd  Cd2  1  0.0000  0.0000  0.6226  1
  Cd  Cd3  1  0.6667  0.3333  0.3742  1
  As  As4  1  0.0000  0.0000  0.4115  1
  As  As5  1  0.3333  0.6667  0.5923  1
]