data_[Mg4Mn4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Mn  1.5500  1.4000  0.6483
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.2733]
_cell_length_b [7.2210]
_cell_length_c [6.4018]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8702]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgMnF4]
_chemical_formula_sum '[Mg4 Mn4 F16]'
_cell_volume [285.5379]
_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
[
  Mg  Mg0  2  0.2100  0.5000  0.4393  1
  Mg  Mg1  2  0.2708  0.0000  0.5597  1
  Mn  Mn2  4  0.2616  0.2563  0.0014  1
  F  F3  4  0.0929  0.2921  0.1812  1
  F  F4  4  0.3131  0.2806  0.6668  1
  F  F5  2  0.0988  0.5000  0.8203  1
  F  F6  2  0.1886  0.0000  0.8227  1
  F  F7  2  0.3861  0.0000  0.3365  1
  F  F8  2  0.4421  0.5000  0.3297  1
]