data_[Ho2Ti2Be2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  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 [6.4911]
_cell_length_b [3.0761]
_cell_length_c [6.6681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1700]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HoTiBeN3]
_chemical_formula_sum '[Ho2 Ti2 Be2 N6]'
_cell_volume [129.0953]
_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
[
  Ho  Ho0  2  0.1937  0.7500  0.2266  1
  Ti  Ti1  2  0.3359  0.2500  0.8425  1
  Be  Be2  2  0.0906  0.7500  0.5974  1
  N  N3  2  0.1223  0.7500  0.8579  1
  N  N4  2  0.1824  0.2500  0.5187  1
  N  N5  2  0.4414  0.2500  0.1606  1
]