data_[Ac8Nd4Mn4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Nd  1.1400  1.8500  1.2765
  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 [4.2669]
_cell_length_b [17.9408]
_cell_length_c [12.9953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ac2NdMnSe5]
_chemical_formula_sum '[Ac8 Nd4 Mn4 Se20]'
_cell_volume [994.8032]
_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  0.1208  0.6942  1
  Ac  Ac1  4  0.0000  0.1228  0.3421  1
  Nd  Nd2  4  0.0000  0.1814  0.0234  1
  Mn  Mn3  4  0.0000  0.4479  0.4285  1
  Se  Se4  4  0.0000  0.0161  0.0174  1
  Se  Se5  4  0.0000  0.3022  0.6847  1
  Se  Se6  4  0.0000  0.3123  0.3608  1
  Se  Se7  4  0.0000  0.3463  0.0173  1
  Se  Se8  4  0.0000  0.4949  0.7555  1
]