data_[Li2V2Cr2]
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
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [2.3645]
_cell_length_b [5.2215]
_cell_length_c [6.4108]
_cell_angle_alpha [80.7529]
_cell_angle_beta [83.1557]
_cell_angle_gamma [82.1231]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiVCr]
_chemical_formula_sum '[Li2 V2 Cr2]'
_cell_volume [76.9983]
_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  0.0897  0.5274  0.1993  1
  Li  Li1  1  0.8845  0.3828  0.8711  1
  V  V2  1  0.2431  0.7121  0.5395  1
  V  V3  1  0.4236  0.9091  0.8648  1
  Cr  Cr4  1  0.6236  0.0229  0.2231  1
  Cr  Cr5  1  0.7498  0.1909  0.5281  1
]