data_YGaCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.79
_cell_angle_alpha   147.14
_cell_angle_beta   147.14
_cell_angle_gamma   47.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGaCu
_chemical_formula_sum   'Y1 Ga1 Cu1'
_cell_volume   56.83
_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  Y2  1  0.0  0.0  0.03  1.0
  Ga  Ga1  1  0.0  0.0  0.83  1.0
  Cu  Cu0  1  0.0  0.0  0.36  1.0

data_YGaCu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   113.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YGaCu
_chemical_formula_sum   'Y2 Ga2 Cu2'
_cell_volume   113.66
_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  0.03  0.0  0.03  1.0
  Ga  Ga1  2  0.33  0.5  0.83  1.0
  Cu  Cu2  2  0.36  0.0  0.36  1.0

Y Ga Cu