data_[Mg10Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.1187]
_cell_length_b [8.2819]
_cell_length_c [8.6140]
_cell_angle_alpha [78.0788]
_cell_angle_beta [78.8073]
_cell_angle_gamma [71.8371]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mg5Te3]
_chemical_formula_sum '[Mg10 Te6]'
_cell_volume [467.5241]
_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  0.0368  0.7299  0.1069  1
  Mg  Mg1  2  0.1879  0.6119  0.4389  1
  Mg  Mg2  2  0.3259  0.8653  0.5681  1
  Mg  Mg3  2  0.3795  0.3995  0.1477  1
  Mg  Mg4  2  0.4241  0.8184  0.2069  1
  Te  Te5  2  0.2276  0.2445  0.4438  1
  Te  Te6  2  0.2652  0.5005  0.8308  1
  Te  Te7  2  0.3013  0.9600  0.8862  1
]