data_[Ce4Mg4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mg  1.3100  1.5000  0.8600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2788]
_cell_length_b [6.7382]
_cell_length_c [7.8749]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8778]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CeMgF5]
_chemical_formula_sum '[Ce4 Mg4 F20]'
_cell_volume [446.6685]
_cell_formula_units_Z [4]
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
[
  Ce  Ce0  4  0.0000  0.4460  0.2500  1.0
  Mg  Mg1  4  0.0000  0.0000  0.0000  1.0
  F  F2  8  0.0104  0.3001  0.9680  1.0
  F  F3  8  0.2339  0.0227  0.6192  1.0
  F  F4  4  0.0000  0.0836  0.2500  1.0
]