data_[Th6Mg1Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Mg  1.3100  1.5000  0.8600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.6059]
_cell_length_b [8.6059]
_cell_length_c [4.2925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Th6MgTe2]
_chemical_formula_sum '[Th6 Mg1 Te2]'
_cell_volume [275.3174]
_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
[
  Th  Th0  3  0.0000  0.2572  0.0000  1
  Th  Th1  3  0.0000  0.5796  0.5000  1
  Mg  Mg2  1  0.0000  0.0000  0.5000  1
  Te  Te3  2  0.3333  0.6667  0.0000  1
]