data_[Sc1Os1Pb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Os  2.2000  1.3000  0.6730
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.6665]
_cell_length_b [4.6665]
_cell_length_c [3.1949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [ScOsPb]
_chemical_formula_sum '[Sc1 Os1 Pb1]'
_cell_volume [60.2509]
_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
[
  Sc  Sc0  1  0.6667  0.3333  0.6764  1
  Os  Os1  1  0.0000  0.0000  0.1530  1
  Pb  Pb2  1  0.3333  0.6667  0.1705  1
]