data_[Ho24Ga3P9Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ga  1.8100  1.3000  0.7600
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.0649]
_cell_length_b [8.0649]
_cell_length_c [20.0221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ho8GaP3Se4]
_chemical_formula_sum '[Ho24 Ga3 P9 Se12]'
_cell_volume [1127.8096]
_cell_formula_units_Z [3]
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  18  0.0013  0.5007  0.7556  1.0
  Ho  Ho1  6  0.0000  0.0000  0.2425  1.0
  Ga  Ga2  3  -0.0000  -0.0000  0.5000  1.0
  P  P3  9  0.0000  0.5000  0.5000  1.0
  Se  Se4  9  0.0000  0.5000  0.0000  1.0
  Se  Se5  3  0.0000  0.0000  0.0000  1.0
]