data_SiMo2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.36
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   97.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiMo2P
_chemical_formula_sum   'Si1 Mo2 P1'
_cell_volume   58.2
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.75  0.68  0.47  1.0
  Mo  Mo1  1  0.52  0.68  0.21  1.0
  P  P2  1  0.61  0.0  0.84  1.0

data_SiMo2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.36
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   97.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiMo2P
_chemical_formula_sum   'Si1 Mo2 P1'
_cell_volume   58.2
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.52  0.68  0.21  1.0
  Mo  Mo2  1  0.75  0.68  0.47  1.0
  P  P3  1  0.61  0.0  0.84  1.0

Si Mo Mo P