data_[Ac6In1Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [12.9523]
_cell_length_b [12.9523]
_cell_length_c [4.8008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Ac6InTe8]
_chemical_formula_sum '[Ac6 In1 Te8]'
_cell_volume [697.4908]
_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
[
  Ac  Ac0  6  0.1415  0.4797  0.7519  1
  In  In1  1  0.0000  0.0000  0.5000  1
  Te  Te2  6  0.0459  0.6804  0.7472  1
  Te  Te3  2  0.3333  0.6667  0.2514  1
]