data_YMnAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   4.57
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   99.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMnAu2
_chemical_formula_sum   'Y1 Mn1 Au2'
_cell_volume   83.29
_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  0.28  0.29  0.3  1.0
  Mn  Mn2  1  0.34  0.0  0.11  1.0
  Au  Au0  1  0.02  0.0  0.98  1.0
  Au  Au1  1  0.89  0.29  0.6  1.0

data_YMnAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.57
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   99.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMnAu2
_chemical_formula_sum   'Y1 Mn1 Au2'
_cell_volume   83.29
_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  0.28  0.29  0.3  1.0
  Mn  Mn1  1  0.34  0.0  0.11  1.0
  Au  Au2  1  0.02  0.0  0.98  1.0
  Au  Au3  1  0.89  0.29  0.6  1.0

Y Mn Au Au
Y Mn Au Au 0 1 o o o 0 3 o o o 0 3 - o o 1 2 o o - 2 3 - o o 