data_[Gd2P6Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  P  2.1900  1.0000  0.5500
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [19.2448]
_cell_length_b [6.3278]
_cell_length_c [9.8999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Gd(PPb)3]
_chemical_formula_sum '[Gd2 P6 Pb6]'
_cell_volume [1205.5718]
_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
[
  Gd  Gd0  2  0.0000  0.3631  0.1628  1
  P  P1  4  0.1103  0.1891  0.0262  1
  P  P2  2  0.0000  0.3431  0.4481  1
  Pb  Pb3  4  0.1084  0.1991  0.6201  1
  Pb  Pb4  2  0.0000  0.0970  0.8726  1
]