data_[Sc4Ni2Pb5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ni  1.9100  1.3500  0.7400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8356]
_cell_length_b [3.4294]
_cell_length_c [9.5041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5603]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sc4Ni2Pb5]
_chemical_formula_sum '[Sc4 Ni2 Pb5]'
_cell_volume [254.1852]
_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  2  0.1833  0.5000  0.4374  1.0
  Sc  Sc1  2  0.1987  0.5000  0.8309  1.0
  Ni  Ni2  2  0.0787  0.0000  0.6274  1.0
  Pb  Pb3  2  0.1376  0.0000  0.1417  1.0
  Pb  Pb4  2  0.4598  0.0000  0.6601  1.0
  Pb  Pb5  1  0.5000  0.0000  0.0000  1.0
]