data_SbMo2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   128.96
_cell_angle_beta   128.96
_cell_angle_gamma   75.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbMo2P
_chemical_formula_sum   'Sb1 Mo2 P1'
_cell_volume   67.34
_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  0.09  0.0  0.92  1.0
  Mo  Mo0  1  0.0  0.0  0.85  1.0
  Mo  Mo1  1  0.0  0.09  0.92  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_SbMo2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   4.85
_cell_angle_alpha   115.52
_cell_angle_beta   115.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbMo2P
_chemical_formula_sum   'Sb1 Mo2 P1'
_cell_volume   67.34
_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  0.92  0.83  0.83  1.0
  Mo  Mo1  1  0.83  0.92  0.83  1.0
  Mo  Mo2  1  0.85  0.85  0.85  1.0
  P  P3  1  0.0  0.0  0.0  1.0

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