data_[Er2Ti2Be2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ti  1.5400  1.4000  0.8517
  Be  1.5700  1.0500  0.5900
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.4785]
_cell_length_b [3.0706]
_cell_length_c [6.6537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8908]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ErTiBeN3]
_chemical_formula_sum '[Er2 Ti2 Be2 N6]'
_cell_volume [128.4899]
_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  2  0.1926  0.2500  0.2255  1.0
  Ti  Ti1  2  0.3365  0.7500  0.8418  1.0
  Be  Be2  2  0.0908  0.2500  0.5970  1.0
  N  N3  2  0.1215  0.2500  0.8579  1.0
  N  N4  2  0.1829  0.7500  0.5176  1.0
  N  N5  2  0.4403  0.7500  0.1608  1.0
]