data_[Er6B4Os4N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  B  2.0400  0.8500  0.4100
  Os  2.2000  1.3000  0.6730
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.6089]
_cell_length_b [3.6089]
_cell_length_c [20.3383]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Er3B2Os2N3]
_chemical_formula_sum '[Er6 B4 Os4 N6]'
_cell_volume [264.8895]
_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
[
  Er  Er0  4  0.0000  0.0000  0.3827  1.0
  Er  Er1  2  0.0000  0.0000  0.0000  1.0
  B  B2  4  0.0000  0.0000  0.1846  1.0
  Os  Os3  4  0.0000  0.5000  0.2500  1.0
  N  N4  4  0.0000  0.0000  0.1112  1.0
  N  N5  2  0.0000  0.0000  0.5000  1.0
]