data_[Li2Ca2V2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  V  1.6300  1.3500  0.7775
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.2185]
_cell_length_b [5.6626]
_cell_length_c [7.9339]
_cell_angle_alpha [105.5837]
_cell_angle_beta [92.5448]
_cell_angle_gamma [97.9673]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiCaV]
_chemical_formula_sum '[Li2 Ca2 V2]'
_cell_volume [137.4304]
_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  2  0.2798  0.1170  0.8943  1
  Ca  Ca1  2  0.0172  0.5126  0.7308  1
  V  V2  2  0.3637  0.0869  0.4315  1
]