data_[Mg2Zn2Te4]
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 [Pmc2_1]
_cell_length_a [4.4693]
_cell_length_b [7.7975]
_cell_length_c [7.3578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [MgZnTe2]
_chemical_formula_sum '[Mg2 Zn2 Te4]'
_cell_volume [256.4126]
_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  0.1698  0.8745  1.0
  Zn  Zn1  2  0.5000  0.3368  0.3736  1.0
  Te  Te2  2  0.0000  0.1750  0.2580  1.0
  Te  Te3  2  0.5000  0.3441  0.7388  1.0
]