data_YFeCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.74
_cell_length_b   8.74
_cell_length_c   8.74
_cell_angle_alpha   19.76
_cell_angle_beta   19.76
_cell_angle_gamma   19.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFeCu2
_chemical_formula_sum   'Y1 Fe1 Cu2'
_cell_volume   66.66
_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  0.84  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.0  0.97  1.0
  Cu  Cu1  1  0.0  0.0  0.72  1.0

data_YFeCu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.19
_cell_length_b   3.0
_cell_length_c   8.74
_cell_angle_alpha   90.0
_cell_angle_beta   101.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YFeCu2
_chemical_formula_sum   'Y2 Fe2 Cu4'
_cell_volume   133.32
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.16  1.0
  Fe  Fe1  2  0.0  0.0  0.0  1.0
  Cu  Cu2  2  0.0  0.0  0.03  1.0
  Cu  Cu3  2  0.0  0.0  0.28  1.0

Y Fe Cu Cu