data_[Mn4Cu4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.7141]
_cell_length_b [6.1500]
_cell_length_c [7.4392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7045]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MnCuF5]
_chemical_formula_sum '[Mn4 Cu4 F20]'
_cell_volume [362.1890]
_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
[
  Mn  Mn0  4  0.0000  0.4596  0.2500  1.0
  Cu  Cu1  4  0.0000  0.0000  0.0000  1.0
  F  F2  8  0.0140  0.3042  0.9530  1.0
  F  F3  8  0.2310  0.4580  0.3559  1.0
  F  F4  4  0.0000  0.1185  0.2500  1.0
]