data_[Ba2Zr2Mo2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zr  1.3300  1.5500  0.8600
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8182]
_cell_length_b [5.9294]
_cell_length_c [7.4142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9993]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaZrMoN4]
_chemical_formula_sum '[Ba2 Zr2 Mo2 N8]'
_cell_volume [243.2589]
_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  0.2708  0.2500  0.0617  1.0
  Zr  Zr1  2  0.1784  0.2500  0.5374  1.0
  Mo  Mo2  2  0.2788  0.7500  0.3478  1.0
  N  N3  4  0.0467  0.5121  0.3232  1.0
  N  N4  2  0.4796  0.7500  0.1937  1.0
  N  N5  2  0.4996  0.2500  0.4229  1.0
]