data_Y2MnIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   5.76
_cell_length_c   5.76
_cell_angle_alpha   39.63
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MnIr
_chemical_formula_sum   'Y2 Mn1 Ir1'
_cell_volume   88.92
_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  Y2  1  0.1  0.0  0.74  1.0
  Y  Y3  1  0.0  0.0  0.54  1.0
  Mn  Mn1  1  0.0  0.0  0.4  1.0
  Ir  Ir0  1  0.1  0.0  0.98  1.0

data_Y2MnIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   4.2
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   109.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MnIr
_chemical_formula_sum   'Y2 Mn1 Ir1'
_cell_volume   88.92
_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  0.26  0.1  0.26  1.0
  Y  Y1  1  0.46  0.0  0.46  1.0
  Mn  Mn2  1  0.6  0.0  0.6  1.0
  Ir  Ir3  1  0.02  0.1  0.02  1.0

Y Y Mn Ir