data_[La1Nd1Os1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.2404]
_cell_length_b [4.2404]
_cell_length_c [6.2559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [LaNdOs]
_chemical_formula_sum '[La1 Nd1 Os1]'
_cell_volume [97.4195]
_cell_formula_units_Z [1]
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
[
  La  La0  1  0.6667  0.3333  0.2293  1
  Nd  Nd1  1  0.3333  0.6667  0.7673  1
  Os  Os2  1  0.0000  0.0000  0.0034  1
]