data_[Cs2Mn2Ni2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mn  1.5500  1.4000  0.6483
  Ni  1.9100  1.3500  0.7400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.4512]
_cell_length_b [9.2147]
_cell_length_c [6.5432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5522]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsMnNiF6]
_chemical_formula_sum '[Cs2 Mn2 Ni2 F12]'
_cell_volume [328.6591]
_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
[
  Cs  Cs0  2  0.0000  0.9959  0.5000  1.0
  Mn  Mn1  2  0.0000  0.6645  0.0000  1.0
  Ni  Ni2  2  0.0000  0.3281  0.0000  1.0
  F  F3  4  0.1185  0.5080  0.1658  1.0
  F  F4  4  0.1758  0.8059  0.1600  1.0
  F  F5  4  0.1838  0.1920  0.1808  1.0
]