data_VAg(PSe3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39
_cell_length_b   6.4
_cell_length_c   23.51
_cell_angle_alpha   86.7
_cell_angle_beta   83.38
_cell_angle_gamma   60.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VAg(PSe3)2
_chemical_formula_sum   'V1 Ag1 P2 Se6'
_cell_volume   827.09
_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  0.6  0.66  0.07  1.0
  Ag  Ag0  1  0.26  0.33  0.07  1.0
  P  P1  1  0.95  0.99  0.03  1.0
  P  P2  1  0.91  0.99  0.12  1.0
  Se  Se3  1  0.31  0.68  0.0  1.0
  Se  Se4  1  0.86  0.68  0.15  1.0
  Se  Se5  1  0.25  0.95  0.15  1.0
  Se  Se6  1  0.64  0.95  0.0  1.0
  Se  Se7  1  0.58  0.35  0.15  1.0
  Se  Se8  1  0.92  0.35  0.0  1.0

V Ag P P Se Se Se Se Se Se 0 8 o o o 0 4 o o o 0 6 o o o 0 9 o o o 0 7 o o o 0 5 o o o 1 6 o - o 1 9 - o o 1 5 - o o 1 7 o - o 1 4 o o o 1 8 o o o 2 7 o o o 2 3 o o o 2 4 + o o 2 9 o + o 3 5 o o o 3 8 o + o 3 6 + o o 
data_VAg(PSe3)2
_symmetry_space_group_name_H-M   C2
_cell_length_a   6.39
_cell_length_b   11.08
_cell_length_c   23.51
_cell_angle_alpha   90.0
_cell_angle_beta   96.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   5
_chemical_formula_structural   VAg(PSe3)2
_chemical_formula_sum   'V2 Ag2 P4 Se12'
_cell_volume   1654.18
_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
  V  V0  2  0.0  0.6  0.5  1.0
  Ag  Ag1  2  0.0  0.26  0.5  1.0
  P  P2  4  0.02  0.93  0.55  1.0
  Se  Se3  4  0.17  0.75  0.57  1.0
  Se  Se4  4  0.2  0.45  0.57  1.0
  Se  Se5  4  0.23  0.09  0.57  1.0
