data_[Mg1Te4Cl6]
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 [P-1]
_cell_length_a [7.1231]
_cell_length_b [7.6781]
_cell_length_c [7.7980]
_cell_angle_alpha [63.2315]
_cell_angle_beta [72.8542]
_cell_angle_gamma [75.0583]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mg(Te2Cl3)2]
_chemical_formula_sum '[Mg1 Te4 Cl6]'
_cell_volume [359.9258]
_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  0.0000  0.0000  0.0000  1.0
  Te  Te1  2  0.2267  0.4829  0.6538  1.0
  Te  Te2  2  0.4751  0.3282  0.3772  1.0
  Cl  Cl3  2  0.0069  0.7992  0.3666  1.0
  Cl  Cl4  2  0.2296  0.7287  0.9344  1.0
  Cl  Cl5  2  0.2931  0.1768  0.9506  1.0
]