data_[Ba2Sr4W2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.1394]
_cell_length_b [6.8148]
_cell_length_c [6.0135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [BaSr2WN4]
_chemical_formula_sum '[Ba2 Sr4 W2 N8]'
_cell_volume [333.5599]
_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
[
  Ba  Ba0  2  0.0000  0.8571  0.4741  1.0
  Sr  Sr1  4  0.2439  0.6730  0.9826  1.0
  W  W2  2  0.0000  0.1876  0.0030  1.0
  N  N3  4  0.1953  0.3118  0.8986  1.0
  N  N4  2  0.0000  0.2103  0.3149  1.0
  N  N5  2  0.0000  0.9124  0.9455  1.0
]