data_YZn2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   5.24
_cell_angle_alpha   110.15
_cell_angle_beta   110.15
_cell_angle_gamma   51.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZn2Cu
_chemical_formula_sum   'Y1 Zn2 Cu1'
_cell_volume   73.57
_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  Y1  1  0.97  0.0  0.42  1.0
  Zn  Zn2  1  0.52  0.0  0.13  1.0
  Zn  Zn3  1  0.42  0.0  0.71  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0

data_YZn2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   4.41
_cell_length_c   5.24
_cell_angle_alpha   110.15
_cell_angle_beta   90.0
_cell_angle_gamma   115.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZn2Cu
_chemical_formula_sum   'Y1 Zn2 Cu1'
_cell_volume   73.57
_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  0.03  0.58  1.0
  Zn  Zn1  1  0.0  0.48  0.87  1.0
  Zn  Zn2  1  0.0  0.58  0.29  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

Y Zn Zn Cu
Y Zn Zn Cu 0 1 o o o 0 3 + o o 0 2 + o o 1 2 o o - 1 3 o o o 1 3 + o o 2 3 + o + 