data_[Ac6Pr2Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.6810]
_cell_length_b [8.7644]
_cell_length_c [7.6741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2619]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Ac3PrSe4]
_chemical_formula_sum '[Ac6 Pr2 Se8]'
_cell_volume [487.6944]
_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  2  0.0000  0.3732  0.7500  1
  Ac  Ac1  2  0.5000  0.1240  0.7500  1
  Ac  Ac2  2  0.5000  0.3734  0.2500  1
  Pr  Pr3  2  0.0000  0.1237  0.2500  1
  Se  Se4  4  0.2425  0.1208  0.9999  1
  Se  Se5  4  0.2458  0.3713  0.4959  1
]