data_[Y12Te6P4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7110]
_cell_length_b [4.2019]
_cell_length_c [8.7082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3578]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6Te3P2Pb]
_chemical_formula_sum '[Y12 Te6 P4 Pb2]'
_cell_volume [663.2741]
_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
[
  Y  Y0  4  0.0134  0.0000  0.2550  1.0
  Y  Y1  4  0.1689  0.5000  0.1184  1.0
  Y  Y2  4  0.1768  0.5000  0.5644  1.0
  Te  Te3  4  0.1629  0.0000  0.8330  1.0
  Te  Te4  2  0.0000  0.5000  0.5000  1.0
  P  P5  4  0.1694  0.0000  0.3393  1.0
  Pb  Pb6  2  0.0000  0.5000  0.0000  1.0
]