data_[Ce2Ta2Be2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ta  1.5000  1.4500  0.8200
  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 [6.7294]
_cell_length_b [3.1387]
_cell_length_c [6.9163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0725]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeTaBeN3]
_chemical_formula_sum '[Ce2 Ta2 Be2 N6]'
_cell_volume [141.0552]
_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
[
  Ce  Ce0  2  0.1941  0.2500  0.2233  1.0
  Ta  Ta1  2  0.3374  0.7500  0.8452  1.0
  Be  Be2  2  0.0839  0.2500  0.5961  1.0
  N  N3  2  0.1130  0.2500  0.8532  1.0
  N  N4  2  0.1759  0.7500  0.5279  1.0
  N  N5  2  0.4489  0.7500  0.1740  1.0
]