data_[Ba10Ca4F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5056]
_cell_length_b [7.1502]
_cell_length_c [8.6209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1095]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba5Ca2F12]
_chemical_formula_sum '[Ba10 Ca4 F24]'
_cell_volume [803.7215]
_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
[
  Ba  Ba0  4  0.1881  0.5000  0.3678  1
  Ba  Ba1  4  0.2173  0.5000  0.8550  1
  Ba  Ba2  2  0.0000  0.0000  0.5000  1
  Ca  Ca3  4  0.0000  0.2411  0.0000  1
  F  F4  8  0.1533  0.2569  0.5951  1
  F  F5  8  0.1709  0.3053  0.0971  1
  F  F6  4  0.0088  0.5000  0.8308  1
  F  F7  4  0.0781  0.0000  0.9063  1
]