data_[Er8Ta4Ti4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ta  1.5000  1.4500  0.8200
  Ti  1.5400  1.4000  0.8517
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.2550]
_cell_length_b [13.1676]
_cell_length_c [10.2459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Er2TaTiN5]
_chemical_formula_sum '[Er8 Ta4 Ti4 N20]'
_cell_volume [439.1482]
_cell_formula_units_Z [4]
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  0.1026  0.6865  1.0
  Er  Er1  4  0.0000  0.1393  0.2888  1.0
  Ta  Ta2  4  0.0000  0.2196  0.0103  1.0
  Ti  Ti3  4  0.0000  0.4752  0.4612  1.0
  N  N4  4  0.0000  0.0574  0.0524  1.0
  N  N5  4  0.0000  0.2772  0.6568  1.0
  N  N6  4  0.0000  0.3093  0.3884  1.0
  N  N7  4  0.0000  0.3723  0.0002  1.0
  N  N8  4  0.0000  0.4963  0.7794  1.0
]