data_SbMoAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   141.7
_cell_angle_beta   124.78
_cell_angle_gamma   69.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbMoAs2
_chemical_formula_sum   'Sb1 Mo1 As2'
_cell_volume   76.6
_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  Sb3  1  0.0  0.48  0.33  1.0
  Mo  Mo2  1  0.0  0.0  0.16  1.0
  As  As0  1  0.0  0.0  0.07  1.0
  As  As1  1  0.75  0.0  0.25  1.0

data_SbMoAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.96
_cell_length_c   5.35
_cell_angle_alpha   117.61
_cell_angle_beta   109.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbMoAs2
_chemical_formula_sum   'Sb1 Mo1 As2'
_cell_volume   76.6
_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  0.52  0.85  0.85  1.0
  Mo  Mo1  1  0.0  0.16  0.16  1.0
  As  As2  1  0.0  0.07  0.07  1.0
  As  As3  1  0.0  0.25  0.49  1.0

Sb Mo As As