data_[Cs4Mn4F12]
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 [C2/m]
_cell_length_a [16.0541]
_cell_length_b [4.2296]
_cell_length_c [7.5610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7501]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsMnF3]
_chemical_formula_sum '[Cs4 Mn4 F12]'
_cell_volume [458.4612]
_cell_formula_units_Z [4]
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  4  0.1078  0.5000  0.9463  1.0
  Mn  Mn1  4  0.1641  0.0000  0.4924  1.0
  F  F2  4  0.0503  0.0000  0.2310  1.0
  F  F3  4  0.1788  0.0000  0.7706  1.0
  F  F4  4  0.1931  0.5000  0.4739  1.0
]