data_[Ho12Mn4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [11.1461]
_cell_length_b [13.7108]
_cell_length_c [6.8140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ho3MnSe6]
_chemical_formula_sum '[Ho12 Mn4 Se24]'
_cell_volume [1041.3327]
_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
[
  Ho  Ho0  8  0.1813  0.0985  0.9816  1.0
  Ho  Ho1  4  0.0000  0.4011  0.8873  1.0
  Mn  Mn2  4  0.0000  0.2028  0.5227  1.0
  Se  Se3  8  0.1629  0.4673  0.1838  1.0
  Se  Se4  8  0.1706  0.2667  0.7022  1.0
  Se  Se5  4  0.0000  0.0389  0.6772  1.0
  Se  Se6  4  0.0000  0.2221  0.1629  1.0
]