data_[Ca4Pb10F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1521]
_cell_length_b [7.3753]
_cell_length_c [7.4573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6047]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Pb5F12]
_chemical_formula_sum '[Ca4 Pb10 F24]'
_cell_volume [749.6666]
_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  4  0.0000  0.2469  0.0000  1
  Pb  Pb1  4  0.2058  0.5000  0.7931  1
  Pb  Pb2  4  0.2141  0.5000  0.3332  1
  Pb  Pb3  2  0.0000  0.0000  0.5000  1
  F  F4  8  0.1466  0.2053  0.5920  1
  F  F5  8  0.1631  0.2157  0.1337  1
  F  F6  4  0.0004  0.5000  0.1860  1
  F  F7  4  0.0169  0.0000  0.8278  1
]