data_[Nd8Ho48Zr4]
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
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0264]
_cell_length_b [11.2764]
_cell_length_c [23.9742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8065]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Ho12Zr]
_chemical_formula_sum '[Nd8 Ho48 Zr4]'
_cell_volume [1886.1455]
_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
[
  Nd  Nd0  4  0.2152  0.5000  0.7341  1
  Nd  Nd1  4  0.2205  0.0000  0.7324  1
  Ho  Ho2  8  0.0090  0.2498  0.8058  1
  Ho  Ho3  8  0.0569  0.7524  0.3274  1
  Ho  Ho4  8  0.1476  0.2448  0.5559  1
  Ho  Ho5  8  0.1776  0.2526  0.0653  1
  Ho  Ho6  4  0.0083  0.0000  0.8814  1
  Ho  Ho7  4  0.0107  0.5000  0.8804  1
  Ho  Ho8  4  0.0898  0.5000  0.4215  1
  Ho  Ho9  4  0.1024  0.0000  0.4297  1
  Zr  Zr10  4  0.2338  0.0000  0.0024  1
]