data_MoAsIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   2.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoAsIr2
_chemical_formula_sum   'Mo1 As1 Ir2'
_cell_volume   60.84
_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  Mo3  1  0.73  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.36  0.96  0.42  1.0
  Ir  Ir2  1  0.36  0.04  0.42  1.0

data_MoAsIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   110.37
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoAsIr2
_chemical_formula_sum   'Mo1 As1 Ir2'
_cell_volume   60.84
_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  -0.0  0.73  0.0  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.42  0.36  0.04  1.0
  Ir  Ir3  1  0.42  0.36  0.96  1.0

Mo As Ir Ir
Mo As Ir Ir 0 1 + o o 2 3 o + o 