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 [12.9806]
_cell_length_b [3.5595]
_cell_length_c [14.5110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8148]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd3Ho6In]
_chemical_formula_sum '[Nd6 Ho12 In2]'
_cell_volume [634.6515]
_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  0.0338  0.2500  0.9078  1
  Nd  Nd1  2  0.1223  0.2500  0.4992  1
  Nd  Nd2  2  0.4907  0.2500  0.1045  1
  Ho  Ho3  2  0.1166  0.7500  0.7105  1
  Ho  Ho4  2  0.1694  0.2500  0.2820  1
  Ho  Ho5  2  0.2509  0.7500  0.1090  1
  Ho  Ho6  2  0.2826  0.2500  0.9006  1
  Ho  Ho7  2  0.3562  0.2500  0.6890  1
  Ho  Ho8  2  0.3650  0.7500  0.4772  1
  In  In9  2  0.4238  0.2500  0.3073  1
]