data_YMn2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   144.3
_cell_angle_beta   130.81
_cell_angle_gamma   62.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMn2Ir
_chemical_formula_sum   'Y1 Mn2 Ir1'
_cell_volume   72.76
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.69  0.0  0.62  1.0
  Mn  Mn2  1  0.0  0.29  0.09  1.0
  Ir  Ir0  1  0.0  0.0  0.71  1.0

data_YMn2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.58
_cell_length_c   5.5
_cell_angle_alpha   114.6
_cell_angle_beta   107.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMn2Ir
_chemical_formula_sum   'Y1 Mn2 Ir1'
_cell_volume   72.76
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.07  0.38  0.07  1.0
  Mn  Mn2  1  0.91  0.2  0.2  1.0
  Ir  Ir3  1  0.29  0.29  0.29  1.0

Y Mn Mn Ir