data_[K2Ca2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ca  1.0000  1.8000  1.1400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.9713]
_cell_length_b [3.5908]
_cell_length_c [6.1443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3354]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KCaPb2]
_chemical_formula_sum '[K2 Ca2 Pb4]'
_cell_volume [270.0426]
_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  0.2689  0.0000  0.8246  1
  Ca  Ca1  2  0.4813  0.0000  0.4139  1
  Pb  Pb2  2  0.0237  0.0000  0.9521  1
  Pb  Pb3  2  0.2260  0.5000  0.3094  1
]