data_[Sr8Mn4Al4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0199]
_cell_length_b [18.1117]
_cell_length_c [12.7266]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2MnAlSe5]
_chemical_formula_sum '[Sr8 Mn4 Al4 Se20]'
_cell_volume [926.5851]
_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
[
  Sr  Sr0  4  0.0000  0.1167  0.6781  1.0
  Sr  Sr1  4  0.0000  0.1293  0.3145  1.0
  Mn  Mn2  4  0.0000  0.2122  0.0283  1.0
  Al  Al3  4  0.0000  0.4318  0.4351  1.0
  Se  Se4  4  0.0000  0.0576  0.0443  1.0
  Se  Se5  4  0.0000  0.2861  0.6603  1.0
  Se  Se6  4  0.0000  0.3034  0.3845  1.0
  Se  Se7  4  0.0000  0.3509  0.0021  1.0
  Se  Se8  4  0.0000  0.4985  0.2769  1.0
]