data_[Mg4Tl2In4Cl14]
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
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1469]
_cell_length_b [7.1069]
_cell_length_c [13.4267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9491]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2TlIn2Cl7]
_chemical_formula_sum '[Mg4 Tl2 In4 Cl14]'
_cell_volume [664.6307]
_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  4  0.0851  0.5000  0.1951  1.0
  Tl  Tl1  2  0.0000  0.0000  0.0000  1.0
  In  In2  4  0.2088  0.0000  0.3659  1.0
  Cl  Cl3  8  0.1717  0.2513  0.8105  1.0
  Cl  Cl4  4  0.1488  0.5000  0.3843  1.0
  Cl  Cl5  2  0.0000  0.5000  0.0000  1.0
]