data_[Ac8Pr6Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pr  1.1300  1.8500  1.0600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0990]
_cell_length_b [13.1050]
_cell_length_c [9.2153]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.6894]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac4Pr3Te8]
_chemical_formula_sum '[Ac8 Pr6 Te16]'
_cell_volume [1124.6340]
_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
[
  Ac  Ac0  4  0.2500  0.2500  0.0000  1
  Ac  Ac1  2  0.0000  0.0000  0.0000  1
  Ac  Ac2  2  0.0000  0.5000  0.5000  1
  Pr  Pr3  4  0.2500  0.2500  0.5000  1
  Pr  Pr4  2  0.0000  0.0000  0.5000  1
  Te  Te5  4  0.0000  0.2462  0.5000  1
  Te  Te6  4  0.0000  0.2575  0.0000  1
  Te  Te7  4  0.2464  0.5000  0.4851  1
  Te  Te8  4  0.2465  0.5000  0.0082  1
]