data_[Sr12P2N4F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8570]
_cell_length_b [12.1826]
_cell_length_c [6.6924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7614]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr6PN2F3]
_chemical_formula_sum '[Sr12 P2 N4 F6]'
_cell_volume [538.0353]
_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  8  0.2399  0.1849  0.2231  1.0
  Sr  Sr1  4  0.1838  0.5000  0.2191  1.0
  P  P2  2  0.0000  0.0000  0.0000  1.0
  N  N3  4  0.0000  0.3348  0.0000  1.0
  F  F4  4  0.0000  0.2041  0.5000  1.0
  F  F5  2  0.0000  0.5000  0.5000  1.0
]