data_MgTl2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.69
_cell_length_b   9.69
_cell_length_c   9.69
_cell_angle_alpha   19.17
_cell_angle_beta   19.17
_cell_angle_gamma   19.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTl2V
_chemical_formula_sum   'Mg1 Tl2 V1'
_cell_volume   85.9
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.0  0.03  1.0
  Tl  Tl2  1  0.0  0.0  0.51  1.0
  V  V3  1  0.0  0.0  0.27  1.0

data_MgTl2V
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.59
_cell_length_b   3.23
_cell_length_c   9.69
_cell_angle_alpha   90.0
_cell_angle_beta   101.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgTl2V
_chemical_formula_sum   'Mg2 Tl4 V2'
_cell_volume   171.79
_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
  Mg  Mg0  2  0.0  0.0  0.0  1.0
  Tl  Tl1  2  0.0  0.0  0.49  1.0
  Tl  Tl2  2  0.0  0.0  0.97  1.0
  V  V3  2  0.0  0.0  0.73  1.0

Mg Tl Tl V
Mg Tl Tl V 0 1 o o o 0 3 o o o 1 3 o o o 2 3 o o o 