data_LaVP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   132.57
_cell_angle_beta   110.22
_cell_angle_gamma   88.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaVP2
_chemical_formula_sum   'La1 V1 P2'
_cell_volume   79.88
_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
  La  La0  1  0.0  0.0  0.54  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  P  P1  1  0.99  0.0  0.35  1.0
  P  P2  1  0.0  0.83  0.19  1.0

data_LaVP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.98
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   69.78
_cell_angle_beta   66.28
_cell_angle_gamma   66.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaVP2
_chemical_formula_sum   'La1 V1 P2'
_cell_volume   79.88
_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
  La  La0  1  0.54  0.0  0.46  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.19  -0.0  0.64  1.0
  P  P3  1  0.36  0.99  0.65  1.0

La V P P
La V P P 0 2 - o o 1 2 - o o 1 3 o - o 2 3 + - o 