data_[Sr2Mn2Fe2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mn  1.5500  1.4000  0.6483
  Fe  1.8300  1.4000  0.8525
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [5.1418]
_cell_length_b [5.1418]
_cell_length_c [10.4117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [SrMnFeF6]
_chemical_formula_sum '[Sr2 Mn2 Fe2 F12]'
_cell_volume [275.2716]
_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
[
  Sr  Sr0  2  0.0000  0.0000  0.6661  1.0
  Mn  Mn1  2  0.0000  0.0000  0.9993  1.0
  Fe  Fe2  2  0.0000  0.0000  0.3341  1.0
  F  F3  4  0.1741  0.8259  0.1682  1.0
  F  F4  4  0.2073  0.7927  0.4832  1.0
  F  F5  4  0.2148  0.7852  0.8488  1.0
]