data_TlV2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   4.04
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   97.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlV2Tc
_chemical_formula_sum   'Tl1 V2 Tc1'
_cell_volume   67.18
_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
  Tl  Tl1  1  0.91  0.02  0.27  1.0
  V  V2  1  0.19  0.0  0.34  1.0
  V  V3  1  0.32  0.02  0.43  1.0
  Tc  Tc0  1  0.35  0.0  0.47  1.0

data_TlV2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.04
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   97.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlV2Tc
_chemical_formula_sum   'Tl1 V2 Tc1'
_cell_volume   67.18
_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
  Tl  Tl0  1  0.91  0.02  0.27  1.0
  V  V1  1  0.19  0.0  0.34  1.0
  V  V2  1  0.32  0.02  0.43  1.0
  Tc  Tc3  1  0.35  0.0  0.47  1.0

Tl V V Tc
Tl V V Tc 0 1 + o o 1 2 o o o 2 3 o o o 