data_[Sr2Cu1Pb1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cu  1.9000  1.3500  0.8200
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.2262]
_cell_length_b [5.7467]
_cell_length_c [8.2493]
_cell_angle_alpha [83.2493]
_cell_angle_beta [88.0427]
_cell_angle_gamma [84.0526]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sr2CuPbF8]
_chemical_formula_sum '[Sr2 Cu1 Pb1 F8]'
_cell_volume [197.8397]
_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
[
  Sr  Sr0  2  0.4894  0.4746  0.7580  1.0
  Cu  Cu1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  1  0.0000  0.0000  0.5000  1.0
  F  F3  2  0.0378  0.3212  0.2716  1.0
  F  F4  2  0.0505  0.1729  0.7884  1.0
  F  F5  2  0.3679  0.7703  0.9748  1.0
  F  F6  2  0.4955  0.2547  0.5181  1.0
]