data_[Ba4Nd2Be4As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Nd  1.1400  1.8500  1.2765
  Be  1.5700  1.0500  0.5900
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.6910]
_cell_length_b [4.2021]
_cell_length_c [7.4250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8832]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Nd(BeAs2)2]
_chemical_formula_sum '[Ba4 Nd2 Be4 As8]'
_cell_volume [457.4003]
_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
[
  Ba  Ba0  4  0.1412  0.0000  0.5820  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  Be  Be2  4  0.1693  0.5000  0.9687  1.0
  As  As3  4  0.0203  0.5000  0.7384  1.0
  As  As4  4  0.2045  0.0000  0.1470  1.0
]