data_V2TeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54
_cell_length_b   6.54
_cell_length_c   6.54
_cell_angle_alpha   150.57
_cell_angle_beta   143.1
_cell_angle_gamma   47.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2TeSe
_chemical_formula_sum   'V2 Te1 Se1'
_cell_volume   82.02
_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  V2  1  0.0  0.0  0.69  1.0
  V  V3  1  0.0  0.07  0.1  1.0
  Te  Te1  1  0.66  0.0  0.99  1.0
  Se  Se0  1  0.0  0.0  0.17  1.0

data_V2TeSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.14
_cell_length_c   6.54
_cell_angle_alpha   108.45
_cell_angle_beta   104.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2TeSe
_chemical_formula_sum   'V2 Te1 Se1'
_cell_volume   82.02
_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  0.31  0.31  0.31  1.0
  V  V1  1  0.9  0.97  0.97  1.0
  Te  Te2  1  0.67  0.01  0.67  1.0
  Se  Se3  1  0.83  0.83  0.83  1.0

V V Te Se
V V Te Se 0 1 o o + 1 3 o o o 2 3 + o + 