data_[Ca2Mn4Pb2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mn  1.5500  1.4000  0.6483
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.3368]
_cell_length_b [7.4375]
_cell_length_c [7.1015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [CaMn2PbF8]
_chemical_formula_sum '[Ca2 Mn4 Pb2 F16]'
_cell_volume [387.5136]
_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  0.0000  0.0000  0.0000  1.0
  Mn  Mn1  4  0.0000  0.5000  0.2428  1.0
  Pb  Pb2  2  0.0000  0.0000  0.5000  1.0
  F  F3  8  0.2123  0.0000  0.2324  1.0
  F  F4  4  0.0000  0.3126  0.0000  1.0
  F  F5  4  0.0000  0.3279  0.5000  1.0
]