data_YCrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   144.75
_cell_angle_beta   143.4
_cell_angle_gamma   51.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCrCu
_chemical_formula_sum   'Y1 Cr1 Cu1'
_cell_volume   58.85
_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  0.0  0.0  0.7  1.0
  Cr  Cr0  1  0.0  0.0  0.73  1.0
  Cu  Cu1  1  0.0  0.0  0.59  1.0

data_YCrCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   3.49
_cell_length_c   5.56
_cell_angle_alpha   108.3
_cell_angle_beta   107.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCrCu
_chemical_formula_sum   'Y1 Cr1 Cu1'
_cell_volume   58.85
_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  0.3  0.3  0.3  1.0
  Cr  Cr1  1  0.27  0.27  0.27  1.0
  Cu  Cu2  1  0.41  0.41  0.41  1.0

Y Cr Cu
Y Cr Cu 0 1 o o o 0 2 o o o 