data_[Th2Mg2Be2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Mg  1.3100  1.5000  0.8600
  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 [6.6682]
_cell_length_b [3.3175]
_cell_length_c [6.8396]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7401]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ThMgBeN3]
_chemical_formula_sum '[Th2 Mg2 Be2 N6]'
_cell_volume [146.9729]
_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
[
  Th  Th0  2  0.1974  0.7500  0.2268  1
  Mg  Mg1  2  0.3425  0.2500  0.8429  1
  Be  Be2  2  0.0866  0.7500  0.6094  1
  N  N3  2  0.0982  0.7500  0.8588  1
  N  N4  2  0.1662  0.2500  0.5322  1
  N  N5  2  0.4243  0.2500  0.1721  1
]