data_[Sr4Cr2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cr  1.6600  1.4000  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [5.3022]
_cell_length_b [5.3022]
_cell_length_c [11.2300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Sr2CrF6]
_chemical_formula_sum '[Sr4 Cr2 F12]'
_cell_volume [315.7124]
_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  4  0.0000  0.0000  0.3349  1
  Cr  Cr1  2  0.0000  0.0000  0.0000  1
  F  F2  8  0.1823  0.8177  0.1562  1
  F  F3  4  0.2255  0.7745  0.5000  1
]