data_YMnCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   4.19
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   100.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMnCu2
_chemical_formula_sum   'Y1 Mn1 Cu2'
_cell_volume   63.23
_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  0.01  0.09  0.0  1.0
  Mn  Mn2  1  0.09  0.0  0.23  1.0
  Cu  Cu0  1  0.47  0.0  0.14  1.0
  Cu  Cu1  1  0.25  0.09  0.43  1.0

data_YMnCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.19
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   100.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMnCu2
_chemical_formula_sum   'Y1 Mn1 Cu2'
_cell_volume   63.23
_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  0.01  0.09  0.0  1.0
  Mn  Mn1  1  0.09  0.0  0.23  1.0
  Cu  Cu2  1  0.25  0.09  0.43  1.0
  Cu  Cu3  1  0.47  0.0  0.14  1.0

Y Mn Cu Cu