data_SbMoSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.53
_cell_length_b   7.53
_cell_length_c   7.53
_cell_angle_alpha   155.75
_cell_angle_beta   155.75
_cell_angle_gamma   34.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbMoSe
_chemical_formula_sum   'Sb1 Mo1 Se1'
_cell_volume   71.83
_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  Sb1  1  0.0  0.0  0.44  1.0
  Mo  Mo0  1  0.0  0.0  0.19  1.0
  Se  Se2  1  0.0  0.0  0.75  1.0

data_SbMoSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   7.53
_cell_angle_alpha   90.0
_cell_angle_beta   107.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SbMoSe
_chemical_formula_sum   'Sb2 Mo2 Se2'
_cell_volume   143.66
_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  0.56  1.0
  Mo  Mo1  2  0.0  0.0  0.81  1.0
  Se  Se2  2  0.0  0.0  0.25  1.0

Sb Mo Se
Sb Mo Se 0 1 o o o 0 2 o o o 