data_Sb3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   4.89
_cell_angle_alpha   111.77
_cell_angle_beta   111.77
_cell_angle_gamma   34.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb3As
_chemical_formula_sum   'Sb3 As1'
_cell_volume   104.88
_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
  Sb  Sb1  1  0.18  0.0  0.25  1.0
  Sb  Sb2  1  0.16  0.0  0.57  1.0
  Sb  Sb3  1  0.21  0.0  0.94  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Sb3As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   4.89
_cell_length_c   6.42
_cell_angle_alpha   111.77
_cell_angle_beta   107.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb3As
_chemical_formula_sum   'Sb3 As1'
_cell_volume   104.88
_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
  Sb  Sb0  1  0.0  0.25  0.18  1.0
  Sb  Sb1  1  0.0  0.57  0.16  1.0
  Sb  Sb2  1  0.0  0.94  0.21  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Sb Sb Sb As