data_[Mg2Al2Te5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2632]
_cell_length_b [4.2632]
_cell_length_c [18.2446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Mg2Al2Te5]
_chemical_formula_sum '[Mg2 Al2 Te5]'
_cell_volume [287.1744]
_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  2  0.3333  0.6667  0.4046  1.0
  Al  Al1  2  0.3333  0.6667  0.8181  1.0
  Te  Te2  2  0.3333  0.6667  0.1165  1.0
  Te  Te3  2  0.3333  0.6667  0.6785  1.0
  Te  Te4  1  0.0000  0.0000  0.5000  1.0
]