data_[Mg2Tl4Cr2Cl12]
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
  Cr  1.6600  1.4000  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8452]
_cell_length_b [6.8491]
_cell_length_c [12.9238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.7221]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [MgTl2CrCl6]
_chemical_formula_sum '[Mg2 Tl4 Cr2 Cl12]'
_cell_volume [515.3878]
_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  0.2496  0.5115  0.7500  1.0
  Cr  Cr2  2  0.5000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.2104  0.1851  0.0047  1.0
  Cl  Cl4  4  0.2132  0.0009  0.7243  1.0
  Cl  Cl5  4  0.3207  0.7058  0.0058  1.0
]