data_[Nd6Ho14]
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
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [10.7694]
_cell_length_b [10.7694]
_cell_length_c [6.4951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Nd3Ho7]
_chemical_formula_sum '[Nd6 Ho14]'
_cell_volume [652.3836]
_cell_formula_units_Z [2]
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  6  0.2028  0.4057  0.8668  1
  Ho  Ho1  6  0.0582  0.5291  0.2100  1
  Ho  Ho2  6  0.1211  0.2423  0.3857  1
  Ho  Ho3  2  0.3333  0.6667  0.5204  1
]