data_LiV2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   5.19
_cell_angle_alpha   93.16
_cell_angle_beta   93.16
_cell_angle_gamma   30.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiV2Mo
_chemical_formula_sum   'Li1 V2 Mo1'
_cell_volume   57.15
_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  0.38  0.0  0.61  1.0
  V  V2  1  0.75  0.0  0.17  1.0
  V  V3  1  0.05  0.0  0.9  1.0
  Mo  Mo1  1  0.71  0.0  0.28  1.0

data_LiV2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.43
_cell_length_b   4.69
_cell_length_c   5.19
_cell_angle_alpha   93.16
_cell_angle_beta   90.0
_cell_angle_gamma   105.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiV2Mo
_chemical_formula_sum   'Li1 V2 Mo1'
_cell_volume   57.15
_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  0.62  0.39  1.0
  V  V1  1  0.0  0.25  0.83  1.0
  V  V2  1  0.0  0.95  0.1  1.0
  Mo  Mo3  1  0.0  0.29  0.72  1.0

Li V V Mo