data_[Ac12Sb6P2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sb  2.0500  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0458]
_cell_length_b [13.9373]
_cell_length_c [7.9888]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5788]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6Sb3PSe2]
_chemical_formula_sum '[Ac12 Sb6 P2 Se4]'
_cell_volume [844.0490]
_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  8  0.2408  0.1618  0.2373  1
  Ac  Ac1  4  0.2434  0.0000  0.7601  1
  Sb  Sb2  4  0.0000  0.1702  0.5000  1
  Sb  Sb3  2  0.0000  0.5000  0.5000  1
  P  P4  2  0.0000  0.0000  0.0000  1
  Se  Se5  4  0.0000  0.3341  0.0000  1
]