data_Be5As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.51
_cell_length_b   2.51
_cell_length_c   10.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be5As
_chemical_formula_sum   'Be5 As1'
_cell_volume   63.14
_cell_formula_units_Z   1
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  Be1  1  0.0  0.0  0.59  1.0
  Be  Be2  1  0.0  0.0  0.45  1.0
  Be  Be3  1  0.25  0.25  0.33  1.0
  Be  Be4  1  0.25  0.25  0.71  1.0
  Be  Be5  1  0.0  0.0  0.0  1.0
  As  As0  1  0.25  0.25  0.02  1.0

data_Be5As
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.55
_cell_length_b   3.55
_cell_length_c   10.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be5As
_chemical_formula_sum   'Be10 As2'
_cell_volume   126.28
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Be  Be1  2  0.0  0.0  0.45  1.0
  Be  Be2  2  0.0  0.0  0.59  1.0
  Be  Be3  2  0.25  0.0  0.33  1.0
  Be  Be4  2  0.25  0.0  0.71  1.0
  As  As5  2  0.25  0.0  0.02  1.0

Be Be Be Be Be As
Be Be Be Be Be As 0 1 o o o 0 3 o o o 1 2 o o o 4 5 o o o 