data_[Be10As2]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.5211]
_cell_length_b [2.5023]
_cell_length_c [14.3293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Be5As]
_chemical_formula_sum '[Be10 As2]'
_cell_volume [126.2547]
_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  2  0.0000  0.0000  0.3231  1
  Be  Be1  2  0.0000  0.0000  0.6993  1
  Be  Be2  2  0.5000  0.0000  0.2205  1
  Be  Be3  2  0.5000  0.0000  0.5917  1
  Be  Be4  2  0.5000  0.0000  0.8473  1
  As  As5  2  0.0000  0.0000  0.9848  1
]