data_[Sc1Re2Pb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Re  1.9000  1.3500  0.7125
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.0359]
_cell_length_b [4.1316]
_cell_length_c [6.0262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5299]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ScRe2Pb]
_chemical_formula_sum '[Sc1 Re2 Pb1]'
_cell_volume [75.2361]
_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  0.9574  0.0000  0.4738  1
  Re  Re1  1  0.0569  0.0000  0.0510  1
  Re  Re2  1  0.4602  0.5000  0.2245  1
  Pb  Pb3  1  0.5255  0.5000  0.7508  1
]