data_[Li2V2Cd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  V  1.6300  1.3500  0.7775
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [2.9440]
_cell_length_b [5.0700]
_cell_length_c [6.9122]
_cell_angle_alpha [99.5018]
_cell_angle_beta [92.8017]
_cell_angle_gamma [90.2233]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiVCd]
_chemical_formula_sum '[Li2 V2 Cd2]'
_cell_volume [101.6280]
_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  0.1995  0.5625  0.3520  1
  Li  Li1  1  0.2208  0.8321  0.0322  1
  V  V2  1  0.2938  0.2728  0.7314  1
  V  V3  1  0.6636  0.3220  0.9820  1
  Cd  Cd4  1  0.7363  0.0792  0.3530  1
  Cd  Cd5  1  0.7502  0.7633  0.6992  1
]