data_Tl2VSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.16
_cell_length_b   9.16
_cell_length_c   9.16
_cell_angle_alpha   21.44
_cell_angle_beta   21.44
_cell_angle_gamma   21.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2VSi
_chemical_formula_sum   'Tl2 V1 Si1'
_cell_volume   90.05
_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  0.0  0.0  0.65  1.0
  Tl  Tl2  1  0.0  0.0  0.2  1.0
  V  V3  1  0.0  0.0  0.42  1.0
  Si  Si0  1  0.0  0.0  0.0  1.0

data_Tl2VSi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.9
_cell_length_b   3.41
_cell_length_c   9.16
_cell_angle_alpha   90.0
_cell_angle_beta   102.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2VSi
_chemical_formula_sum   'Tl4 V2 Si2'
_cell_volume   180.1
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.35  1.0
  Tl  Tl1  2  0.0  0.0  0.8  1.0
  V  V2  2  0.0  0.0  0.58  1.0
  Si  Si3  2  0.0  0.0  0.0  1.0

Tl Tl V Si
Tl Tl V Si 0 2 o o o 1 3 o o o 1 2 o o o 