data_AlRuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.86
_cell_angle_alpha   150.4
_cell_angle_beta   150.4
_cell_angle_gamma   42.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlRuSe
_chemical_formula_sum   'Al1 Ru1 Se1'
_cell_volume   49.07
_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  0.66  1.0
  Ru  Ru1  1  0.0  0.0  0.68  1.0
  Se  Se2  1  0.0  0.0  0.53  1.0

data_AlRuSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   111.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlRuSe
_chemical_formula_sum   'Al2 Ru2 Se2'
_cell_volume   98.14
_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
  Al  Al0  2  0.0  0.0  0.34  1.0
  Ru  Ru1  2  0.0  0.0  0.32  1.0
  Se  Se2  2  0.0  0.0  0.47  1.0

Al Ru Se