data_[Nd12Cd4Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cd  1.6900  1.5500  1.0900
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0698]
_cell_length_b [7.5820]
_cell_length_c [12.8940]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.2258]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd6Cd2Os]
_chemical_formula_sum '[Nd12 Cd4 Os2]'
_cell_volume [584.6911]
_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  4  0.1548  0.0029  0.2522  1.0
  Nd  Nd1  4  0.2159  0.1950  0.5405  1.0
  Nd  Nd2  4  0.3485  0.6843  0.5404  1.0
  Cd  Cd3  4  0.3018  0.5927  0.2506  1.0
  Os  Os4  2  0.5000  0.0000  0.5000  1.0
]