data_YCrCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   131.87
_cell_angle_beta   131.87
_cell_angle_gamma   70.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCrCu2
_chemical_formula_sum   'Y1 Cr1 Cu2'
_cell_volume   68.45
_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  0.04  0.05  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.04  0.0  0.05  1.0
  Cu  Cu2  1  0.0  0.0  0.1  1.0

data_YCrCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   4.09
_cell_length_c   5.01
_cell_angle_alpha   114.06
_cell_angle_beta   114.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCrCu2
_chemical_formula_sum   'Y1 Cr1 Cu2'
_cell_volume   68.45
_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  0.0  0.05  0.0  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.05  0.0  0.0  1.0
  Cu  Cu3  1  0.1  0.1  0.1  1.0

Y Cr Cu Cu