data_[Nd16Cu4Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cu  1.9000  1.3500  0.8200
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8051]
_cell_length_b [5.2129]
_cell_length_c [6.9451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6787]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Cu2Os]
_chemical_formula_sum '[Nd16 Cu4 Os2]'
_cell_volume [623.5743]
_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  0.0321  0.0000  0.7946  1.0
  Nd  Nd1  4  0.0880  0.5000  0.4398  1.0
  Nd  Nd2  4  0.1647  0.5000  0.9762  1.0
  Nd  Nd3  4  0.1999  0.0000  0.3294  1.0
  Cu  Cu4  4  0.1870  0.0000  0.7292  1.0
  Os  Os5  2  0.0000  0.5000  0.0000  1.0
]