data_VAg(PSe3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43
_cell_length_b   6.43
_cell_length_c   7.28
_cell_angle_alpha   97.98
_cell_angle_beta   97.98
_cell_angle_gamma   120.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VAg(PSe3)2
_chemical_formula_sum   'V1 Ag1 P2 Se6'
_cell_volume   249.55
_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
  V  V9  1  0.2  0.06  0.0  1.0
  Ag  Ag0  1  0.2  0.86  0.0  1.0
  P  P1  1  0.39  0.96  0.88  1.0
  P  P2  1  0.99  0.96  0.11  1.0
  Se  Se3  1  0.13  0.73  0.3  1.0
  Se  Se4  1  0.11  0.22  0.29  1.0
  Se  Se5  1  0.53  0.94  0.26  1.0
  Se  Se6  1  0.85  0.94  0.73  1.0
  Se  Se7  1  0.28  0.22  0.7  1.0
  Se  Se8  1  0.26  0.73  0.69  1.0

data_VAg(PSe3)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.41
_cell_length_b   6.43
_cell_length_c   7.28
_cell_angle_alpha   82.02
_cell_angle_beta   73.83
_cell_angle_gamma   60.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VAg(PSe3)2
_chemical_formula_sum   'V1 Ag1 P2 Se6'
_cell_volume   249.55
_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
  V  V0  1  0.06  0.15  0.0  1.0
  Ag  Ag1  1  0.86  0.34  -0.0  1.0
  P  P2  1  0.96  0.03  0.89  1.0
  P  P3  1  0.96  0.43  0.12  1.0
  Se  Se4  1  0.22  0.05  0.3  1.0
  Se  Se5  1  0.22  0.89  0.71  1.0
  Se  Se6  1  0.73  0.4  0.7  1.0
  Se  Se7  1  0.73  0.52  0.31  1.0
  Se  Se8  1  0.94  0.6  0.74  1.0
  Se  Se9  1  0.94  0.91  0.27  1.0

V Ag P P Se Se Se Se Se Se
V Ag P P Se Se Se Se Se Se 0 1 o - o 0 2 o - - 0 3 - - o 0 7 - - - 0 8 o o - 1 2 o o - 1 4 o o o 1 6 o o o 2 9 o o o 2 6 o o + 2 8 o + o 3 5 + + o 3 4 + o o 3 7 o o - 4 6 o o o 4 9 o o o 7 8 + + o 