data_[Sc2As4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.4365]
_cell_length_b [3.7579]
_cell_length_c [3.9718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9045]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ScAs2Pb]
_chemical_formula_sum '[Sc2 As4 Pb2]'
_cell_volume [200.5280]
_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
[
  Sc  Sc0  2  0.2136  0.5000  0.1411  1
  As  As1  2  0.0572  0.0000  0.1059  1
  As  As2  2  0.2575  0.0000  0.6472  1
  Pb  Pb3  2  0.4716  0.0000  0.6058  1
]