data_YFeCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.35
_cell_length_c   3.21
_cell_angle_alpha   73.63
_cell_angle_beta   71.68
_cell_angle_gamma   34.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFeCu
_chemical_formula_sum   'Y1 Fe1 Cu1'
_cell_volume   50.04
_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  Y2  1  0.2  0.33  0.57  1.0
  Fe  Fe1  1  0.2  0.33  0.52  1.0
  Cu  Cu0  1  0.2  0.33  0.41  1.0

data_YFeCu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.4
_cell_length_b   9.75
_cell_length_c   3.21
_cell_angle_alpha   90.0
_cell_angle_beta   133.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YFeCu
_chemical_formula_sum   'Y2 Fe2 Cu2'
_cell_volume   100.07
_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  0.2  0.0  0.76  1.0
  Fe  Fe1  2  0.2  0.0  0.72  1.0
  Cu  Cu2  2  0.2  0.0  0.61  1.0

Y Fe Cu