data_[Ca2As2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.5498]
_cell_length_b [4.0592]
_cell_length_c [6.0641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8397]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CaAsPb2]
_chemical_formula_sum '[Ca2 As2 Pb4]'
_cell_volume [237.5319]
_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
[
  Ca  Ca0  2  0.2977  0.5000  0.3616  1
  As  As1  2  0.0152  0.5000  0.3768  1
  Pb  Pb2  2  0.2044  0.0000  0.7625  1
  Pb  Pb3  2  0.4827  0.5000  0.9990  1
]