data_[Ca2Nd6Ho12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Nd  1.1400  1.8500  1.2765
  Ho  1.2300  1.7500  1.0410
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6654]
_cell_length_b [6.6344]
_cell_length_c [9.5931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6624]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca(NdHo2)3]
_chemical_formula_sum '[Ca2 Nd6 Ho12]'
_cell_volume [680.0237]
_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
[
  Ca  Ca0  2  0.0000  0.5000  0.5000  1
  Nd  Nd1  4  0.0695  0.5000  0.1920  1
  Nd  Nd2  2  0.0000  0.0000  0.0000  1
  Ho  Ho3  8  0.1878  0.2467  0.8101  1
  Ho  Ho4  4  0.1414  0.0000  0.4255  1
]