data_[Sr4Mg2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6116]
_cell_length_b [6.4330]
_cell_length_c [9.2465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.7371]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr2MgF6]
_chemical_formula_sum '[Sr4 Mg2 F12]'
_cell_volume [280.7754]
_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  0.2222  0.0964  0.7547  1.0
  Mg  Mg1  2  0.5000  0.0000  0.5000  1.0
  F  F2  4  0.1499  0.1466  0.4471  1.0
  F  F3  4  0.2958  0.7208  0.4327  1.0
  F  F4  4  0.3931  0.0515  0.2624  1.0
]