data_[Sr2Ta2Be2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [7.0331]
_cell_length_b [3.1708]
_cell_length_c [7.1085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9317]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrTaBeN3]
_chemical_formula_sum '[Sr2 Ta2 Be2 N6]'
_cell_volume [150.8238]
_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
[
  Sr  Sr0  2  0.2034  0.7500  0.2376  1
  Ta  Ta1  2  0.3285  0.2500  0.8378  1
  Be  Be2  2  0.0773  0.7500  0.6011  1
  N  N3  2  0.1359  0.7500  0.8541  1
  N  N4  2  0.1698  0.2500  0.5392  1
  N  N5  2  0.4636  0.2500  0.1564  1
]