data_[Sr8Tb4Mn4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tb  1.1000  1.7500  0.9815
  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 [4.1708]
_cell_length_b [18.3367]
_cell_length_c [12.9280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2TbMnSe5]
_chemical_formula_sum '[Sr8 Tb4 Mn4 Se20]'
_cell_volume [988.7066]
_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  0.1196  0.3345  1.0
  Sr  Sr1  4  0.0000  0.1222  0.6872  1.0
  Tb  Tb2  4  0.0000  0.1999  0.0302  1.0
  Mn  Mn3  4  0.0000  0.4428  0.4273  1.0
  Se  Se4  4  0.0000  0.0369  0.0231  1.0
  Se  Se5  4  0.0000  0.3008  0.6798  1.0
  Se  Se6  4  0.0000  0.3156  0.3698  1.0
  Se  Se7  4  0.0000  0.3511  0.0102  1.0
  Se  Se8  4  0.0000  0.4991  0.2618  1.0
]