data_LiVPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44
_cell_length_b   5.49
_cell_length_c   6.42
_cell_angle_alpha   76.9
_cell_angle_beta   45.92
_cell_angle_gamma   57.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiVPO4
_chemical_formula_sum   'Li2 V2 P2 O8'
_cell_volume   153.54
_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  1  0.24  0.65  0.5  1.0
  Li  Li1  1  0.83  0.77  0.14  1.0
  V  V2  1  0.41  0.88  0.62  1.0
  V  V3  1  0.83  0.77  0.68  1.0
  P  P4  1  0.41  0.88  0.55  1.0
  P  P5  1  0.83  0.77  0.2  1.0
  O  O6  1  0.35  0.72  0.45  1.0
  O  O7  1  0.56  0.75  0.57  1.0
  O  O8  1  0.85  0.63  0.92  1.0
  O  O9  1  0.72  0.6  0.81  1.0
  O  O10  1  0.27  0.02  0.57  1.0
  O  O11  1  0.3  0.82  0.45  1.0
  O  O12  1  0.77  0.7  0.81  1.0
  O  O13  1  0.8  0.9  0.92  1.0

data_LiVPO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   6.42
_cell_angle_alpha   103.1
_cell_angle_beta   103.1
_cell_angle_gamma   118.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiVPO4
_chemical_formula_sum   'Li2 V2 P2 O8'
_cell_volume   153.54
_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  1  0.17  0.77  0.03  1.0
  Li  Li1  1  0.76  0.65  0.26  1.0
  V  V2  1  0.17  0.77  0.49  1.0
  V  V3  1  0.59  0.88  0.96  1.0
  P  P4  1  0.17  0.77  0.97  1.0
  P  P5  1  0.59  0.88  0.03  1.0
  O  O6  1  0.15  0.63  0.23  1.0
  O  O7  1  0.2  0.9  0.28  1.0
  O  O8  1  0.23  0.7  0.42  1.0
  O  O9  1  0.28  0.6  0.48  1.0
  O  O10  1  0.44  0.75  0.87  1.0
  O  O11  1  0.65  0.72  0.19  1.0
  O  O12  1  0.7  0.82  0.24  1.0
  O  O13  1  0.73  0.02  0.17  1.0

Li Li V V P P O O O O O O O O