data_[Nd6Ho12In2]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.9312]
_cell_length_b [3.5369]
_cell_length_c [14.5877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6044]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd3Ho6In]
_chemical_formula_sum '[Nd6 Ho12 In2]'
_cell_volume [628.5119]
_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  2  0.0337  0.7500  0.9081  1.0
  Nd  Nd1  2  0.1222  0.7500  0.5005  1.0
  Nd  Nd2  2  0.4895  0.7500  0.1044  1.0
  Ho  Ho3  2  0.1140  0.2500  0.7092  1.0
  Ho  Ho4  2  0.1674  0.7500  0.2794  1.0
  Ho  Ho5  2  0.2518  0.2500  0.1112  1.0
  Ho  Ho6  2  0.2839  0.7500  0.8990  1.0
  Ho  Ho7  2  0.3562  0.7500  0.6905  1.0
  Ho  Ho8  2  0.3659  0.2500  0.4755  1.0
  In  In9  2  0.4247  0.7500  0.3075  1.0
]