data_Y2MnIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   138.98
_cell_angle_beta   138.98
_cell_angle_gamma   59.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MnIr
_chemical_formula_sum   'Y2 Mn1 Ir1'
_cell_volume   84.27
_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  0.04  0.0  0.53  1.0
  Y  Y3  1  0.0  0.0  0.06  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.04  0.53  1.0

data_Y2MnIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   5.82
_cell_angle_alpha   110.51
_cell_angle_beta   110.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MnIr
_chemical_formula_sum   'Y2 Mn1 Ir1'
_cell_volume   84.27
_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  0.47  0.0  0.51  1.0
  Y  Y1  1  0.94  0.0  0.94  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.51  0.04  0.51  1.0

Y Y Mn Ir
Y Y Mn Ir 0 3 o o o 1 2 o o o 