data_[Sr6Ac4Pr2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [C2/m]
_cell_length_a [19.3697]
_cell_length_b [4.3932]
_cell_length_c [8.8851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4177]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3Ac2PrSe6]
_chemical_formula_sum '[Sr6 Ac4 Pr2 Se12]'
_cell_volume [732.2635]
_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
[
  Sr  Sr0  4  0.1664  0.0000  0.8340  1
  Sr  Sr1  2  0.0000  0.5000  0.5000  1
  Ac  Ac2  4  0.1630  0.0000  0.3258  1
  Pr  Pr3  2  0.0000  0.5000  0.0000  1
  Se  Se4  4  0.0023  0.0000  0.7550  1
  Se  Se5  4  0.1653  0.5000  0.0773  1
  Se  Se6  4  0.1672  0.5000  0.5839  1
]