data_La2TlV
_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   120.64
_cell_angle_beta   120.64
_cell_angle_gamma   88.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TlV
_chemical_formula_sum   'La2 Tl1 V1'
_cell_volume   116.8
_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  0.73  0.0  0.96  1.0
  La  La1  1  0.0  0.73  0.96  1.0
  Tl  Tl2  1  0.0  0.0  0.93  1.0
  V  V3  1  0.0  0.0  0.0  1.0

data_La2TlV
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.71
_cell_length_b   7.71
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   134.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2TlV
_chemical_formula_sum   'La4 Tl2 V2'
_cell_volume   233.59
_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
  La  La0  4  0.14  0.14  0.24  1.0
  Tl  Tl1  2  0.0  0.0  0.93  1.0
  V  V2  2  0.0  0.0  0.0  1.0

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