data_Mo2IrSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   30.35
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2IrSe
_chemical_formula_sum   'Mo2 Ir1 Se1'
_cell_volume   62.63
_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
  Mo  Mo1  1  0.0  0.0  0.92  1.0
  Mo  Mo2  1  0.06  0.0  0.11  1.0
  Ir  Ir0  1  0.06  0.0  0.38  1.0
  Se  Se3  1  0.0  0.0  0.83  1.0

data_Mo2IrSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.11
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   105.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2IrSe
_chemical_formula_sum   'Mo2 Ir1 Se1'
_cell_volume   62.63
_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
  Mo  Mo0  1  0.08  0.0  0.08  1.0
  Mo  Mo1  1  0.89  0.06  0.89  1.0
  Ir  Ir2  1  0.62  0.06  0.62  1.0
  Se  Se3  1  0.17  0.0  0.17  1.0

Mo Mo Ir Se