data_Sb3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.66
_cell_angle_alpha   100.91
_cell_angle_beta   100.91
_cell_angle_gamma   39.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb3Mo
_chemical_formula_sum   'Sb3 Mo1'
_cell_volume   92.77
_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  0.26  0.0  0.77  1.0
  Sb  Sb2  1  0.75  0.0  0.38  1.0
  Sb  Sb3  1  0.76  0.0  0.16  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0

data_Sb3Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   5.13
_cell_length_c   5.66
_cell_angle_alpha   100.91
_cell_angle_beta   90.0
_cell_angle_gamma   109.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb3Mo
_chemical_formula_sum   'Sb3 Mo1'
_cell_volume   92.77
_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  0.24  0.84  1.0
  Sb  Sb1  1  0.0  0.25  0.62  1.0
  Sb  Sb2  1  0.0  0.74  0.23  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Sb Sb Sb Mo