data_[Ca2Zn1Pb1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.0848]
_cell_length_b [7.6789]
_cell_length_c [5.4924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.1410]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ca2ZnPbF8]
_chemical_formula_sum '[Ca2 Zn1 Pb1 F8]'
_cell_volume [171.5852]
_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
[
  Ca  Ca0  2  0.5000  0.2347  0.5000  1
  Zn  Zn1  1  0.0000  0.0000  0.0000  1
  Pb  Pb2  1  0.0000  0.5000  0.0000  1
  F  F3  4  0.0413  0.2213  0.7511  1
  F  F4  2  0.4295  0.0000  0.2346  1
  F  F5  2  0.4878  0.5000  0.7298  1
]