data_SnMoAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   144.33
_cell_angle_beta   144.33
_cell_angle_gamma   51.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnMoAs
_chemical_formula_sum   'Sn1 Mo1 As1'
_cell_volume   56.1
_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  Sn2  1  0.0  0.0  0.24  1.0
  Mo  Mo1  1  0.0  0.0  0.36  1.0
  As  As0  1  0.0  0.0  0.3  1.0

data_SnMoAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   115.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SnMoAs
_chemical_formula_sum   'Sn2 Mo2 As2'
_cell_volume   112.19
_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
  Sn  Sn0  2  0.0  0.0  0.76  1.0
  Mo  Mo1  2  0.0  0.0  0.64  1.0
  As  As2  2  0.0  0.0  0.7  1.0

Sn Mo As