data_LiTaV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   141.32
_cell_angle_beta   127.26
_cell_angle_gamma   67.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTaV2
_chemical_formula_sum   'Li1 Ta1 V2'
_cell_volume   59.13
_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  0.0  0.03  1.0
  Ta  Ta1  1  0.0  0.19  0.12  1.0
  V  V2  1  0.0  0.0  0.15  1.0
  V  V3  1  0.64  0.0  0.93  1.0

data_LiTaV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.39
_cell_length_c   4.94
_cell_angle_alpha   116.37
_cell_angle_beta   109.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTaV2
_chemical_formula_sum   'Li1 Ta1 V2'
_cell_volume   59.13
_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  0.97  0.97  0.97  1.0
  Ta  Ta1  1  0.88  0.08  0.08  1.0
  V  V2  1  0.7  0.07  0.7  1.0
  V  V3  1  0.85  0.85  0.85  1.0

Li Ta V V