data_[Ac10As8Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5370]
_cell_length_b [6.4081]
_cell_length_c [22.6961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ac5As4Se]
_chemical_formula_sum '[Ac10 As8 Se2]'
_cell_volume [659.8514]
_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  0.0000  0.5000  0.1999  1
  Ac  Ac1  4  0.0000  0.5000  0.3961  1
  Ac  Ac2  2  0.0000  0.5000  0.0000  1
  As  As3  4  0.0000  0.0000  0.1995  1
  As  As4  4  0.0000  0.0000  0.4014  1
  Se  Se5  2  0.0000  0.0000  0.0000  1
]