data_Li2VMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.56
_cell_length_b   2.56
_cell_length_c   9.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2VMo
_chemical_formula_sum   'Li2 V1 Mo1'
_cell_volume   62.15
_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  0.28  0.28  0.45  1.0
  Li  Li1  1  0.0  0.0  0.44  1.0
  V  V3  1  0.0  0.0  0.04  1.0
  Mo  Mo2  1  0.28  0.28  0.8  1.0

data_Li2VMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.62
_cell_length_b   3.62
_cell_length_c   9.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2VMo
_chemical_formula_sum   'Li4 V2 Mo2'
_cell_volume   124.31
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.44  1.0
  Li  Li1  2  0.28  0.0  0.45  1.0
  V  V2  2  0.0  0.0  0.04  1.0
  Mo  Mo3  2  0.28  0.0  0.8  1.0

Li Li V Mo
Li Li V Mo 0 1 o o o 2 3 - o - 2 3 o - - 2 3 o o - 2 2 + o o 2 2 o + o 3 3 + o o 3 3 o + o 