data_Be2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2As
_chemical_formula_sum   'Be8 As4'
_cell_volume   151.24
_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  Be4  1  0.0  0.0  0.61  1.0
  Be  Be5  1  0.0  0.0  0.0  1.0
  Be  Be6  1  0.32  0.6  0.41  1.0
  Be  Be7  1  0.15  0.66  0.8  1.0
  Be  Be8  1  0.68  0.6  0.41  1.0
  Be  Be9  1  0.0  0.32  0.41  1.0
  Be  Be10  1  0.46  0.94  0.8  1.0
  Be  Be11  1  0.78  0.66  0.8  1.0
  As  As0  1  0.46  0.42  0.75  1.0
  As  As1  1  0.0  0.84  0.14  1.0
  As  As2  1  0.0  0.84  0.46  1.0
  As  As3  1  0.46  0.42  0.07  1.0

data_Be2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2As
_chemical_formula_sum   'Be8 As4'
_cell_volume   151.24
_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  1  0.0  0.0  0.0  1.0
  Be  Be1  1  0.0  0.0  0.61  1.0
  Be  Be2  1  0.0  0.32  0.41  1.0
  Be  Be3  1  0.15  0.66  0.8  1.0
  Be  Be4  1  0.32  0.6  0.41  1.0
  Be  Be5  1  0.46  0.94  0.8  1.0
  Be  Be6  1  0.68  0.6  0.41  1.0
  Be  Be7  1  0.78  0.66  0.8  1.0
  As  As8  1  0.0  0.84  0.14  1.0
  As  As9  1  0.0  0.84  0.46  1.0
  As  As10  1  0.46  0.42  0.07  1.0
  As  As11  1  0.46  0.42  0.75  1.0

Be Be Be Be Be Be Be Be As As As As