data_LaTl2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   135.23
_cell_angle_beta   135.23
_cell_angle_gamma   65.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTl2V
_chemical_formula_sum   'La1 Tl2 V1'
_cell_volume   102.9
_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
  La  La0  1  0.27  0.0  0.51  1.0
  Tl  Tl1  1  0.0  0.0  0.01  1.0
  Tl  Tl2  1  0.0  0.27  0.51  1.0
  V  V3  1  0.0  0.0  0.0  1.0

data_LaTl2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   5.95
_cell_angle_alpha   112.38
_cell_angle_beta   112.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTl2V
_chemical_formula_sum   'La1 Tl2 V1'
_cell_volume   102.9
_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
  La  La0  1  0.51  0.24  0.24  1.0
  Tl  Tl1  1  0.01  0.01  0.01  1.0
  Tl  Tl2  1  0.24  0.51  0.24  1.0
  V  V3  1  0.0  0.0  0.0  1.0

La Tl Tl V
La Tl Tl V 0 2 o o o 1 3 o o o 