data_[Ba4Be2W2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Be  1.5700  1.0500  0.5900
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.8246]
_cell_length_b [8.7226]
_cell_length_c [6.3951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ba2BeWN4]
_chemical_formula_sum '[Ba4 Be2 W2 N8]'
_cell_volume [324.9071]
_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  4  0.0000  0.2416  0.2565  1
  Be  Be1  2  0.0000  0.5000  0.9213  1
  W  W2  2  0.0000  0.0000  0.8178  1
  N  N3  4  0.0000  0.1775  0.6596  1
  N  N4  4  0.2454  0.5000  0.9944  1
]