data_[Mg2Te2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Te  2.1000  1.4000  1.2933
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3730]
_cell_length_b [12.8519]
_cell_length_c [6.3728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5543]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgTeCl6]
_chemical_formula_sum '[Mg2 Te2 Cl12]'
_cell_volume [494.8409]
_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  0.0000  1
  Te  Te1  2  0.0000  0.5000  0.5000  1
  Cl  Cl2  8  0.2427  0.1351  0.2412  1
  Cl  Cl3  4  0.2462  0.5000  0.2561  1
]