data_[Sr4Mg4F16]
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 [Cmc2_1]
_cell_length_a [3.9936]
_cell_length_b [14.6054]
_cell_length_c [5.6875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [SrMgF4]
_chemical_formula_sum '[Sr4 Mg4 F16]'
_cell_volume [331.7360]
_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
[
  Sr  Sr0  4  0.0000  0.3425  0.4554  1.0
  Mg  Mg1  4  0.0000  0.0845  0.4046  1.0
  F  F2  4  0.0000  0.0343  0.0695  1.0
  F  F3  4  0.0000  0.1617  0.6898  1.0
  F  F4  4  0.0000  0.2020  0.2109  1.0
  F  F5  4  0.0000  0.4161  0.8867  1.0
]