data_[Ba4Ca2Os2N8]
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
  Os  2.2000  1.3000  0.6730
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [6.0859]
_cell_length_b [7.8314]
_cell_length_c [6.5611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ba2CaOsN4]
_chemical_formula_sum '[Ba4 Ca2 Os2 N8]'
_cell_volume [312.7100]
_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  0.2391  0.2264  1.0
  Ca  Ca1  2  0.0000  0.0000  0.7697  1.0
  Os  Os2  2  0.0000  0.5000  0.7870  1.0
  N  N3  4  0.0000  0.2993  0.6506  1.0
  N  N4  4  0.2217  0.5000  0.0005  1.0
]