data_[Si1As1Pb1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [4.8971]
_cell_length_b [4.8971]
_cell_length_c [5.0373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [SiAsPbO6]
_chemical_formula_sum '[Si1 As1 Pb1 O6]'
_cell_volume [104.6183]
_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
[
  Si  Si0  1  0.6667  0.3333  0.5000  1.0
  As  As1  1  0.3333  0.6667  0.5000  1.0
  Pb  Pb2  1  0.0000  0.0000  0.0000  1.0
  O  O3  6  0.3867  0.0083  0.7008  1.0
]