data_Li2CaV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.59
_cell_angle_alpha   100.37
_cell_angle_beta   100.37
_cell_angle_gamma   34.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CaV
_chemical_formula_sum   'Li2 Ca1 V1'
_cell_volume   94.23
_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
  Li  Li1  1  0.78  0.0  0.87  1.0
  Li  Li2  1  0.7  0.0  0.62  1.0
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  V  V3  1  0.74  0.0  0.74  1.0

data_Li2CaV
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   5.51
_cell_length_c   5.59
_cell_angle_alpha   100.37
_cell_angle_beta   90.0
_cell_angle_gamma   107.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CaV
_chemical_formula_sum   'Li2 Ca1 V1'
_cell_volume   94.23
_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
  Li  Li0  1  0.0  0.22  0.13  1.0
  Li  Li1  1  0.0  0.3  0.38  1.0
  Ca  Ca2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.0  0.26  0.26  1.0

Li Li Ca V