data_[Ba2Ca4W2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  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 [7.9643]
_cell_length_b [6.4074]
_cell_length_c [5.9208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [BaCa2WN4]
_chemical_formula_sum '[Ba2 Ca4 W2 N8]'
_cell_volume [302.1389]
_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  0.8486  0.4767  1.0
  Ca  Ca1  4  0.2450  0.6700  0.9890  1.0
  W  W2  2  0.0000  0.1943  0.0024  1.0
  N  N3  4  0.1958  0.3203  0.8818  1.0
  N  N4  2  0.0000  0.2356  0.3178  1.0
  N  N5  2  0.0000  0.8987  0.9615  1.0
]