data_V2TcSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   143.3
_cell_angle_beta   127.74
_cell_angle_gamma   65.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2TcSe
_chemical_formula_sum   'V2 Tc1 Se1'
_cell_volume   55.82
_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  0.17  0.1  1.0
  V  V3  1  0.55  0.0  0.04  1.0
  Tc  Tc1  1  0.0  0.0  0.14  1.0
  Se  Se0  1  0.0  0.0  0.0  1.0

data_V2TcSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.34
_cell_length_c   4.93
_cell_angle_alpha   116.13
_cell_angle_beta   108.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2TcSe
_chemical_formula_sum   'V2 Tc1 Se1'
_cell_volume   55.82
_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  0.04  0.49  1.0
  V  V1  1  0.83  0.93  0.93  1.0
  Tc  Tc2  1  0.0  0.14  0.14  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

V V Tc Se
V V Tc Se 0 3 o o o 0 1 - o o 1 3 + o o 1 2 + o o 2 3 o o o 