data_VAgSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75
_cell_length_b   3.75
_cell_length_c   7.59
_cell_angle_alpha   94.29
_cell_angle_beta   94.29
_cell_angle_gamma   56.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VAgSe2
_chemical_formula_sum   'V1 Ag1 Se2'
_cell_volume   88.6
_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  V3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.99  0.0  0.78  1.0
  Se  Se1  1  0.14  0.0  0.42  1.0
  Se  Se2  1  0.84  0.0  0.15  1.0

data_VAgSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   3.75
_cell_length_c   7.59
_cell_angle_alpha   94.29
_cell_angle_beta   90.0
_cell_angle_gamma   118.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VAgSe2
_chemical_formula_sum   'V1 Ag1 Se2'
_cell_volume   88.6
_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  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.0  0.01  0.22  1.0
  Se  Se2  1  0.0  0.16  0.85  1.0
  Se  Se3  1  0.0  0.86  0.58  1.0

V Ag Se Se
V Ag Se Se 0 3 - o o 0 1 - o - 2 3 - o o 