data_[Ca8Rh8F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Rh  2.2800  1.3500  0.7450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [4.9058]
_cell_length_b [16.1418]
_cell_length_c [5.1855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [CaRhF]
_chemical_formula_sum '[Ca8 Rh8 F8]'
_cell_volume [410.6292]
_cell_formula_units_Z [8]
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  8  0.0000  0.1529  0.1877  1
  Rh  Rh1  8  0.2496  0.0000  0.9355  1
  F  F2  8  0.0000  0.2020  0.6293  1
]