data_AlMoSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   3.98
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlMoSe2
_chemical_formula_sum   'Al1 Mo1 Se2'
_cell_volume   72.9
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.68  0.0  0.72  1.0
  Se  Se2  1  0.68  0.99  0.0  1.0
  Se  Se3  1  0.0  0.99  0.72  1.0

data_AlMoSe2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.37
_cell_length_b   3.98
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   AlMoSe2
_chemical_formula_sum   'Al1 Mo1 Se2'
_cell_volume   72.9
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.68  0.0  0.72  1.0
  Se  Se2  1  -0.0  0.0  0.72  1.0
  Se  Se3  1  0.68  0.0  -0.0  1.0

Al Mo Se Se
Al Mo Se Se 0 2 - - o 1 3 + - o 