data_SnMoP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   135.82
_cell_angle_beta   135.82
_cell_angle_gamma   64.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnMoP2
_chemical_formula_sum   'Sn1 Mo1 P2'
_cell_volume   68.17
_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
  Sn  Sn3  1  0.96  0.0  0.21  1.0
  Mo  Mo0  1  0.0  0.0  0.42  1.0
  P  P1  1  0.0  0.96  0.21  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_SnMoP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   5.22
_cell_angle_alpha   112.09
_cell_angle_beta   112.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnMoP2
_chemical_formula_sum   'Sn1 Mo1 P2'
_cell_volume   68.17
_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
  Sn  Sn0  1  0.21  0.25  0.25  1.0
  Mo  Mo1  1  0.42  0.42  0.42  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.25  0.21  0.25  1.0

Sn Mo P P