data_Tl2VMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   4.67
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   98.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2VMo
_chemical_formula_sum   'Tl2 V1 Mo1'
_cell_volume   77.44
_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  0.08  0.34  0.19  1.0
  Tl  Tl2  1  0.02  0.34  0.38  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.05  0.0  0.78  1.0

data_Tl2VMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.67
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   98.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2VMo
_chemical_formula_sum   'Tl2 V1 Mo1'
_cell_volume   77.44
_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  0.02  0.34  0.38  1.0
  Tl  Tl1  1  0.08  0.34  0.19  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.05  0.0  0.78  1.0

Tl Tl V Mo
Tl Tl V Mo 0 1 o o o 2 3 o o - 