data_YMnCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   127.98
_cell_angle_beta   121.49
_cell_angle_gamma   82.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMnCu2
_chemical_formula_sum   'Y1 Mn1 Cu2'
_cell_volume   68.83
_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  0.0  0.57  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.32  0.91  1.0
  Cu  Cu1  1  0.08  0.0  0.66  1.0

data_YMnCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   4.63
_cell_length_c   4.74
_cell_angle_alpha   119.26
_cell_angle_beta   116.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMnCu2
_chemical_formula_sum   'Y1 Mn1 Cu2'
_cell_volume   68.83
_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  0.43  0.43  0.43  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.09  0.41  0.41  1.0
  Cu  Cu3  1  0.41  0.34  0.41  1.0

Y Mn Cu Cu