data_[Ca2Mn2Co2F12]
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
  Co  1.8800  1.3500  0.7683
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [5.0052]
_cell_length_b [5.0052]
_cell_length_c [10.1140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [CaMnCoF6]
_chemical_formula_sum '[Ca2 Mn2 Co2 F12]'
_cell_volume [253.3788]
_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  0.6666  1.0
  Mn  Mn1  2  0.0000  0.0000  0.9994  1.0
  Co  Co2  2  0.0000  0.0000  0.3338  1.0
  F  F3  4  0.1822  0.8178  0.1713  1.0
  F  F4  4  0.1971  0.8029  0.4885  1.0
  F  F5  4  0.2075  0.7925  0.8403  1.0
]