data_BeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   6.69
_cell_angle_alpha   104.3
_cell_angle_beta   104.3
_cell_angle_gamma   28.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAs2
_chemical_formula_sum   'Be2 As4'
_cell_volume   106.83
_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  0.34  0.0  0.6  1.0
  Be  Be5  1  0.36  0.0  0.86  1.0
  As  As0  1  0.44  0.0  0.17  1.0
  As  As1  1  0.26  0.0  0.3  1.0
  As  As2  1  0.32  0.0  0.91  1.0
  As  As3  1  0.37  0.0  0.56  1.0

data_BeAs2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.9
_cell_length_b   5.88
_cell_length_c   6.69
_cell_angle_alpha   104.3
_cell_angle_beta   90.0
_cell_angle_gamma   104.26
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BeAs2
_chemical_formula_sum   'Be2 As4'
_cell_volume   106.83
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.0  0.49  0.87  1.0
  As  As1  2  0.0  0.41  0.56  1.0
  As  As2  2  0.0  0.47  0.18  1.0

Be Be As As As As