data_[Mg2Tl4V2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  V  1.6300  1.3500  0.7775
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0720]
_cell_length_b [7.0671]
_cell_length_c [12.2881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1678]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [MgTl2VCl6]
_chemical_formula_sum '[Mg2 Tl4 V2 Cl12]'
_cell_volume [502.0423]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl1  4  0.2466  0.0253  0.2503  1.0
  V  V2  2  0.5000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.2033  0.2214  0.9794  1.0
  Cl  Cl4  4  0.2578  0.7239  0.9793  1.0
  Cl  Cl5  4  0.2926  0.0009  0.7516  1.0
]