data_[Be4Ag4As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9153]
_cell_length_b [3.8942]
_cell_length_c [6.8301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4197]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BeAgAs]
_chemical_formula_sum '[Be4 Ag4 As4]'
_cell_volume [220.7502]
_cell_formula_units_Z [4]
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  0.2031  0.5000  0.0541  1
  Ag  Ag1  4  0.0551  0.5000  0.3212  1
  As  As2  4  0.2442  0.0000  0.2433  1
]