data_YMn2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   5.4
_cell_angle_alpha   101.26
_cell_angle_beta   101.26
_cell_angle_gamma   38.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMn2Al
_chemical_formula_sum   'Y1 Mn2 Al1'
_cell_volume   71.21
_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  0.86  0.0  0.64  1.0
  Mn  Mn1  1  0.43  0.0  0.27  1.0
  Mn  Mn2  1  0.29  0.0  0.01  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0

data_YMn2Al
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.67
_cell_length_c   5.4
_cell_angle_alpha   101.26
_cell_angle_beta   90.0
_cell_angle_gamma   109.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMn2Al
_chemical_formula_sum   'Y1 Mn2 Al1'
_cell_volume   71.21
_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  0.14  0.36  1.0
  Mn  Mn1  1  0.0  0.57  0.73  1.0
  Mn  Mn2  1  0.0  0.71  0.99  1.0
  Al  Al3  1  0.0  0.0  0.0  1.0

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