data_TlV2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   4.76
_cell_angle_alpha   104.86
_cell_angle_beta   104.86
_cell_angle_gamma   31.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlV2Ge
_chemical_formula_sum   'Tl1 V2 Ge1'
_cell_volume   67.13
_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  0.59  0.0  0.67  1.0
  V  V2  1  0.9  0.0  0.43  1.0
  V  V3  1  0.26  0.0  0.36  1.0
  Ge  Ge0  1  0.39  0.0  0.01  1.0

data_TlV2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.76
_cell_length_c   5.3
_cell_angle_alpha   104.86
_cell_angle_beta   105.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlV2Ge
_chemical_formula_sum   'Tl1 V2 Ge1'
_cell_volume   67.13
_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  0.0  0.67  0.59  1.0
  V  V1  1  0.0  0.36  0.26  1.0
  V  V2  1  0.0  0.43  0.9  1.0
  Ge  Ge3  1  0.0  0.01  0.39  1.0

Tl V V Ge