data_[Cs2Mn2As2F12]
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
  As  2.1800  1.1500  0.6600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.0225]
_cell_length_b [9.4296]
_cell_length_c [6.3906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7948]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsMnAsF6]
_chemical_formula_sum '[Cs2 Mn2 As2 F12]'
_cell_volume [362.7423]
_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  0.0021  0.5000  1.0
  Mn  Mn1  2  0.0000  0.6795  0.0000  1.0
  As  As2  2  0.0000  0.3257  0.0000  1.0
  F  F3  4  0.1182  0.4825  0.1641  1.0
  F  F4  4  0.2216  0.8153  0.1821  1.0
  F  F5  4  0.2378  0.1979  0.2024  1.0
]