data_VSn2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57
_cell_length_b   4.07
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   94.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSn2Se
_chemical_formula_sum   'V1 Sn2 Se1'
_cell_volume   85.95
_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
  Sn  Sn1  1  0.43  0.04  0.47  1.0
  Sn  Sn2  1  0.7  0.04  0.45  1.0
  Se  Se0  1  0.78  0.0  0.96  1.0

data_VSn2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   4.07
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   94.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSn2Se
_chemical_formula_sum   'V1 Sn2 Se1'
_cell_volume   85.95
_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
  Sn  Sn1  1  0.43  0.04  0.47  1.0
  Sn  Sn2  1  0.7  0.04  0.45  1.0
  Se  Se3  1  0.78  0.0  0.96  1.0

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