data_[Ca2Co1Pb1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Co  1.8800  1.3500  0.7683
  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 [4.0523]
_cell_length_b [7.6859]
_cell_length_c [5.4938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3333]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ca2CoPbF8]
_chemical_formula_sum '[Ca2 Co1 Pb1 F8]'
_cell_volume [170.6205]
_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  0.2338  0.5000  1
  Co  Co1  1  0.0000  0.0000  0.0000  1
  Pb  Pb2  1  0.0000  0.5000  0.0000  1
  F  F3  4  0.0328  0.2206  0.7506  1
  F  F4  2  0.4413  0.0000  0.2340  1
  F  F5  2  0.4878  0.5000  0.7293  1
]