data_[K2Ga2Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ga  1.8100  1.3000  0.7600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.9280]
_cell_length_b [6.9232]
_cell_length_c [6.9088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [KGaPb3]
_chemical_formula_sum '[K2 Ga2 Pb6]'
_cell_volume [331.3720]
_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
[
  K  K0  2  0.0000  0.2284  0.4634  1.0
  Ga  Ga1  2  0.0000  0.6006  0.1313  1.0
  Pb  Pb2  4  0.2499  0.2789  0.9696  1.0
  Pb  Pb3  2  0.0000  0.8892  0.8438  1.0
]