data_[Nd9Ho15As24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ho  1.2300  1.7500  1.0410
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3327]
_cell_length_b [8.3327]
_cell_length_c [20.4038]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nd3Ho5As8]
_chemical_formula_sum '[Nd9 Ho15 As24]'
_cell_volume [1226.9261]
_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
[
  Nd  Nd0  9  0.0000  0.5000  0.5000  1
  Ho  Ho1  9  0.0000  0.5000  0.0000  1
  Ho  Ho2  3  -0.0000  -0.0000  0.5000  1
  Ho  Ho3  3  0.0000  0.0000  0.0000  1
  As  As4  18  0.0047  0.5023  0.2523  1
  As  As5  6  0.0000  0.0000  0.2536  1
]