data_[Y4Mn4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mn  1.5500  1.4000  0.6483
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2489]
_cell_length_b [6.9170]
_cell_length_c [7.7062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1681]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [YMnF5]
_chemical_formula_sum '[Y4 Mn4 F20]'
_cell_volume [449.7924]
_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
[
  Y  Y0  4  0.0000  0.4502  0.2500  1
  Mn  Mn1  4  0.0000  0.0000  0.0000  1
  F  F2  8  0.0088  0.3185  0.9625  1
  F  F3  8  0.2456  0.0267  0.6282  1
  F  F4  4  0.0000  0.1241  0.2500  1
]