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 [Pna2_1]
_cell_length_a [7.7537]
_cell_length_b [9.0073]
_cell_length_c [7.3460]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [MgZnTe2]
_chemical_formula_sum '[Mg4 Zn4 Te8]'
_cell_volume [513.0439]
_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  4  0.0869  0.3768  0.0005  1.0
  Zn  Zn1  4  0.0806  0.8746  0.9992  1.0
  Te  Te2  4  0.0736  0.8823  0.6337  1.0
  Te  Te3  4  0.0913  0.3665  0.6164  1.0
]