data_[Ac8Sm4Mn4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sm  1.1700  1.8500  1.2290
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2589]
_cell_length_b [17.8714]
_cell_length_c [12.9332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ac2SmMnSe5]
_chemical_formula_sum '[Ac8 Sm4 Mn4 Se20]'
_cell_volume [984.3754]
_cell_formula_units_Z [4]
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  0.1216  0.6945  1
  Ac  Ac1  4  0.0000  0.1221  0.3407  1
  Sm  Sm2  4  0.0000  0.1825  0.0220  1
  Mn  Mn3  4  0.0000  0.4467  0.4300  1
  Se  Se4  4  0.0000  0.0184  0.0202  1
  Se  Se5  4  0.0000  0.3030  0.6812  1
  Se  Se6  4  0.0000  0.3104  0.3621  1
  Se  Se7  4  0.0000  0.3463  0.0168  1
  Se  Se8  4  0.0000  0.4959  0.7564  1
]