data_[Be8As6H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  As  2.1800  1.1500  0.6600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [5.7526]
_cell_length_b [7.1066]
_cell_length_c [5.7119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Be4As3H]
_chemical_formula_sum '[Be8 As6 H2]'
_cell_volume [233.5082]
_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
[
  Be  Be0  4  0.2291  0.6885  0.9113  1
  Be  Be1  2  0.0000  0.2018  0.8195  1
  Be  Be2  2  0.0000  0.8135  0.2998  1
  As  As3  4  0.2391  0.6189  0.5210  1
  As  As4  2  0.0000  0.0925  0.4745  1
  H  H5  2  0.0000  0.7684  0.0265  1
]