data_[Nd12Sn4Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sn  1.9600  1.4500  0.8300
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.4263]
_cell_length_b [14.4920]
_cell_length_c [8.4225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Nd6Sn2Os]
_chemical_formula_sum '[Nd12 Sn4 Os2]'
_cell_volume [540.2651]
_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  0.0000  0.1176  0.1210  1.0
  Nd  Nd1  4  0.5000  0.2015  0.8002  1.0
  Nd  Nd2  2  0.0000  0.0000  0.7578  1.0
  Nd  Nd3  2  0.5000  0.0000  0.4084  1.0
  Sn  Sn4  4  0.0000  0.1678  0.5009  1.0
  Os  Os5  2  0.5000  0.0000  0.9898  1.0
]