data_[Ho9Mn27]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2389]
_cell_length_b [5.2389]
_cell_length_c [23.6285]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [HoMn3]
_chemical_formula_sum '[Ho9 Mn27]'
_cell_volume [561.6322]
_cell_formula_units_Z [9]
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  6  0.0000  0.0000  0.1421  1.0
  Ho  Ho1  3  0.0000  0.0000  0.0000  1.0
  Mn  Mn2  18  0.0008  0.5004  0.0797  1.0
  Mn  Mn3  6  0.0000  0.0000  0.3323  1.0
  Mn  Mn4  3  -0.0000  -0.0000  0.5000  1.0
]