data_[K4Ce2Mg2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [Pmmn]
_cell_length_a [5.8884]
_cell_length_b [8.7015]
_cell_length_c [6.7640]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [K2CeMgF6]
_chemical_formula_sum '[K4 Ce2 Mg2 F12]'
_cell_volume [346.5728]
_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
[
  K  K0  4  0.0000  0.2777  0.8148  1
  Ce  Ce1  2  0.0000  0.5000  0.3057  1
  Mg  Mg2  2  0.0000  0.0000  0.2162  1
  F  F3  4  0.0000  0.2354  0.2131  1
  F  F4  4  0.2401  0.5000  0.5895  1
  F  F5  4  0.2420  0.0000  0.9928  1
]