data_Be2SbAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58
_cell_length_b   3.58
_cell_length_c   6.15
_cell_angle_alpha   106.42
_cell_angle_beta   106.42
_cell_angle_gamma   58.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2SbAs
_chemical_formula_sum   'Be2 Sb1 As1'
_cell_volume   63.76
_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  0.05  0.0  0.68  1.0
  Be  Be2  1  0.19  0.0  0.13  1.0
  Sb  Sb3  1  0.12  0.0  0.91  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Be2SbAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   3.58
_cell_length_c   6.15
_cell_angle_alpha   106.42
_cell_angle_beta   90.0
_cell_angle_gamma   119.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2SbAs
_chemical_formula_sum   'Be2 Sb1 As1'
_cell_volume   63.76
_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  Be0  1  0.0  0.81  0.87  1.0
  Be  Be1  1  0.0  0.95  0.32  1.0
  Sb  Sb2  1  0.0  0.88  0.09  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Be Be Sb As
Be Be Sb As 0 2 o o o 1 3 o o o 2 3 o o + 