data_[Ba4Np2Be4As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Np  1.3600  1.7500  1.0000
  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 [15.2224]
_cell_length_b [4.1260]
_cell_length_c [7.5852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3955]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Np(BeAs2)2]
_chemical_formula_sum '[Ba4 Np2 Be4 As8]'
_cell_volume [446.5461]
_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  0.1375  0.0000  0.5798  1
  Np  Np1  2  0.0000  0.0000  0.0000  1
  Be  Be2  4  0.1707  0.5000  0.9769  1
  As  As3  4  0.0204  0.5000  0.7581  1
  As  As4  4  0.2027  0.0000  0.1512  1
]