data_[Mg4Zn4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [16.5895]
_cell_length_b [4.4723]
_cell_length_c [7.7966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.5964]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgZnTe2]
_chemical_formula_sum '[Mg4 Zn4 Te8]'
_cell_volume [512.6490]
_cell_formula_units_Z [4]
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  0.2081  0.0000  0.0273  1.0
  Mg  Mg1  2  0.4637  0.5000  0.1171  1.0
  Zn  Zn2  2  0.2145  0.5000  0.5361  1.0
  Zn  Zn3  2  0.4592  0.0000  0.6092  1.0
  Te  Te4  2  0.1430  0.5000  0.7850  1.0
  Te  Te5  2  0.1545  0.0000  0.3193  1.0
  Te  Te6  2  0.3983  0.0000  0.2258  1.0
  Te  Te7  2  0.3987  0.5000  0.7113  1.0
]