data_Tl2VMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   143.62
_cell_angle_beta   127.81
_cell_angle_gamma   65.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2VMo
_chemical_formula_sum   'Tl2 V1 Mo1'
_cell_volume   76.77
_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  0.72  0.0  0.26  1.0
  Tl  Tl2  1  0.0  0.42  0.37  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.0  0.0  0.63  1.0

data_Tl2VMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   4.83
_cell_length_c   5.5
_cell_angle_alpha   116.09
_cell_angle_beta   108.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2VMo
_chemical_formula_sum   'Tl2 V1 Mo1'
_cell_volume   76.77
_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  0.26  0.55  1.0
  Tl  Tl1  1  0.58  0.95  0.95  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.63  0.63  1.0

Tl Tl V Mo