data_[Nd4Be2Si2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Be  1.5700  1.0500  0.5900
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3420]
_cell_length_b [3.8406]
_cell_length_c [8.1605]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2124]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd2BeSiN]
_chemical_formula_sum '[Nd4 Be2 Si2 N2]'
_cell_volume [188.8056]
_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
[
  Nd  Nd0  2  0.2062  0.2500  0.3921  1.0
  Nd  Nd1  2  0.2155  0.2500  0.9619  1.0
  Be  Be2  2  0.4501  0.7500  0.2427  1.0
  Si  Si3  2  0.3374  0.7500  0.7056  1.0
  N  N4  2  0.1819  0.7500  0.1710  1.0
]