data_[Y4Cu4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [16.6097]
_cell_length_b [4.1620]
_cell_length_c [4.3142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2397]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [YCuPb]
_chemical_formula_sum '[Y4 Cu4 Pb4]'
_cell_volume [289.0745]
_cell_formula_units_Z [4]
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
[
  Y  Y0  2  0.1740  0.0000  0.9703  1
  Y  Y1  2  0.4215  0.5000  0.2350  1
  Cu  Cu2  2  0.0989  0.5000  0.4039  1
  Cu  Cu3  2  0.3509  0.0000  0.7265  1
  Pb  Pb4  2  0.0106  0.5000  0.8199  1
  Pb  Pb5  2  0.2598  0.5000  0.5472  1
]