data_[Cs2Mn2F6]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.3070]
_cell_length_b [6.1132]
_cell_length_c [6.3886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3368]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsMnF3]
_chemical_formula_sum '[Cs2 Mn2 F6]'
_cell_volume [205.5670]
_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  0.1697  0.2500  0.3840  1.0
  Mn  Mn1  2  0.4346  0.7500  0.0772  1.0
  F  F2  4  0.2837  0.5007  0.8676  1.0
  F  F3  2  0.2914  0.7500  0.3556  1.0
]