data_[Ba8Ho4Mn4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ho  1.2300  1.7500  1.0410
  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 [4.2771]
_cell_length_b [18.7315]
_cell_length_c [13.4676]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2HoMnSe5]
_chemical_formula_sum '[Ba8 Ho4 Mn4 Se20]'
_cell_volume [1078.9672]
_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
[
  Ba  Ba0  4  0.0000  0.1238  0.3345  1.0
  Ba  Ba1  4  0.0000  0.1257  0.6915  1.0
  Ho  Ho2  4  0.0000  0.1987  0.0292  1.0
  Mn  Mn3  4  0.0000  0.4401  0.4265  1.0
  Se  Se4  4  0.0000  0.0396  0.0130  1.0
  Se  Se5  4  0.0000  0.3046  0.6680  1.0
  Se  Se6  4  0.0000  0.3130  0.3786  1.0
  Se  Se7  4  0.0000  0.3452  0.0129  1.0
  Se  Se8  4  0.0000  0.4978  0.2699  1.0
]