data_YMnAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   130.42
_cell_angle_beta   130.42
_cell_angle_gamma   72.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMnAl2
_chemical_formula_sum   'Y1 Mn1 Al2'
_cell_volume   76.17
_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  0.15  0.06  1.0
  Mn  Mn2  1  0.0  0.0  0.13  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.15  0.0  0.06  1.0

data_YMnAl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   5.12
_cell_angle_alpha   114.79
_cell_angle_beta   114.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMnAl2
_chemical_formula_sum   'Y1 Mn1 Al2'
_cell_volume   76.17
_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  0.09  0.15  0.09  1.0
  Mn  Mn1  1  0.87  0.0  0.87  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Al  Al3  1  0.94  0.0  0.09  1.0

Y Mn Al Al
Y Mn Al Al 0 2 o o o 1 2 o o o 2 3 o o o 