data_[Sr2Mn4F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8132]
_cell_length_b [4.1376]
_cell_length_c [7.5733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1490]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrMn2F6]
_chemical_formula_sum '[Sr2 Mn4 F12]'
_cell_volume [295.9256]
_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  0.5000  1
  Mn  Mn1  4  0.1749  0.0000  0.1033  1
  F  F2  4  0.0157  0.0000  0.1879  1
  F  F3  4  0.1490  0.5000  0.6087  1
  F  F4  4  0.2232  0.5000  0.0960  1
]