data_[Ac12Te6Pb2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Te  2.1000  1.4000  1.2933
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.4894]
_cell_length_b [4.6742]
_cell_length_c [9.3773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3602]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6Te3PbSe2]
_chemical_formula_sum '[Ac12 Te6 Pb2 Se4]'
_cell_volume [870.0237]
_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  0.0067  0.0000  0.2496  1
  Ac  Ac1  4  0.1661  0.5000  0.0993  1
  Ac  Ac2  4  0.1721  0.5000  0.5710  1
  Te  Te3  4  0.1647  0.0000  0.8316  1
  Te  Te4  2  0.0000  0.5000  0.5000  1
  Pb  Pb5  2  0.0000  0.5000  0.0000  1
  Se  Se6  4  0.1683  0.0000  0.3354  1
]