data_BeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   106.2
_cell_angle_beta   106.2
_cell_angle_gamma   116.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAs2
_chemical_formula_sum   'Be2 As4'
_cell_volume   94.62
_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  Be4  1  0.0  0.0  0.95  1.0
  Be  Be5  1  0.0  0.0  0.32  1.0
  As  As0  1  0.89  0.1  0.0  1.0
  As  As1  1  0.1  0.89  0.64  1.0
  As  As2  1  0.89  0.89  0.0  1.0
  As  As3  1  0.11  0.1  0.64  1.0

data_BeAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   106.2
_cell_angle_beta   106.2
_cell_angle_gamma   116.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAs2
_chemical_formula_sum   'Be2 As4'
_cell_volume   94.62
_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  1  0.0  0.0  0.32  1.0
  Be  Be1  1  0.0  0.0  0.95  1.0
  As  As2  1  0.1  0.89  0.64  1.0
  As  As3  1  0.11  0.1  0.64  1.0
  As  As4  1  0.89  0.89  0.0  1.0
  As  As5  1  0.89  0.1  0.0  1.0

Be Be As As As As