data_LiVSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   123.95
_cell_angle_beta   123.95
_cell_angle_gamma   83.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiVSiO4
_chemical_formula_sum   'Li1 V1 Si1 O4'
_cell_volume   91.03
_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  0.0  1.0
  V  V1  1  0.0  0.0  0.86  1.0
  Si  Si2  1  0.0  0.43  0.93  1.0
  O  O3  1  0.01  0.32  0.98  1.0
  O  O4  1  0.89  0.42  0.88  1.0
  O  O5  1  0.42  0.11  0.84  1.0
  O  O6  1  0.54  0.01  0.02  1.0

data_LiVSiO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   5.17
_cell_angle_alpha   118.02
_cell_angle_beta   118.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiVSiO4
_chemical_formula_sum   'Li1 V1 Si1 O4'
_cell_volume   91.03
_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  0.0  1.0
  V  V1  1  0.14  0.0  0.14  1.0
  Si  Si2  1  0.5  0.43  0.5  1.0
  O  O3  1  0.27  0.11  0.69  1.0
  O  O4  1  0.34  0.32  0.35  1.0
  O  O5  1  0.54  0.42  0.43  1.0
  O  O6  1  0.99  0.01  0.52  1.0

Li V Si O O O O