data_[Sr2Mg4Ni2F16]
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
  Ni  1.9100  1.3500  0.7400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.8715]
_cell_length_b [7.0925]
_cell_length_c [6.5743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [SrMg2NiF8]
_chemical_formula_sum '[Sr2 Mg4 Ni2 F16]'
_cell_volume [320.4023]
_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  1.0
  Mg  Mg1  4  0.0000  0.5000  0.2357  1.0
  Ni  Ni2  2  0.0000  0.0000  0.0000  1.0
  F  F3  8  0.2118  0.0000  0.2146  1.0
  F  F4  4  0.0000  0.3017  0.0000  1.0
  F  F5  4  0.0000  0.3322  0.5000  1.0
]