data_[Mg1Al2Te3Se1]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.1407]
_cell_length_b [6.1928]
_cell_length_c [7.1984]
_cell_angle_alpha [115.2617]
_cell_angle_beta [113.6589]
_cell_angle_gamma [91.2097]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgAl2Te3Se]
_chemical_formula_sum '[Mg1 Al2 Te3 Se1]'
_cell_volume [220.5594]
_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  0.9857  0.9823  0.9916  1
  Al  Al1  1  0.5086  0.5052  0.9932  1
  Al  Al2  1  0.7440  0.2641  0.5101  1
  Te  Te3  1  0.1291  0.1219  0.7230  1
  Te  Te4  1  0.3858  0.8648  0.2721  1
  Te  Te5  1  0.8852  0.4096  0.2709  1
  Se  Se6  1  0.6116  0.6022  0.7390  1
]