data_SbMoP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   6.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbMoP2
_chemical_formula_sum   'Sb1 Mo1 P2'
_cell_volume   68.14
_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  0.0  0.43  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.58  0.58  0.31  1.0
  P  P2  1  0.58  0.58  0.55  1.0

data_SbMoP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   6.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SbMoP2
_chemical_formula_sum   'Sb2 Mo2 P4'
_cell_volume   136.28
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.43  1.0
  Mo  Mo1  2  0.0  0.0  0.0  1.0
  P  P2  2  0.08  0.5  0.31  1.0
  P  P3  2  0.08  0.5  0.55  1.0

Sb Mo P P
Sb Mo P P 0 2 - - o 0 2 - o o 0 2 o - o 0 3 - - o 0 3 - o o 0 3 o - o 0 1 o o o 1 3 - - - 1 2 - - o 1 2 - o o 1 2 o - o 1 2 o o o 1 1 + o o 1 1 o + o 2 3 o o o 