data_Y2Mg7Cu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.91
_cell_length_b   10.91
_cell_length_c   10.91
_cell_angle_alpha   30.31
_cell_angle_beta   30.31
_cell_angle_gamma   30.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2Mg7Cu3
_chemical_formula_sum   'Y2 Mg7 Cu3'
_cell_volume   293.05
_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  Y10  1  0.0  0.0  0.02  1.0
  Y  Y11  1  0.0  0.0  0.18  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Mg  Mg4  1  0.0  0.38  0.06  1.0
  Mg  Mg5  1  0.4  0.81  0.06  1.0
  Mg  Mg6  1  0.6  0.81  0.06  1.0
  Mg  Mg7  1  0.0  0.62  0.14  1.0
  Mg  Mg8  1  0.4  0.19  0.14  1.0
  Mg  Mg9  1  0.6  0.19  0.14  1.0
  Cu  Cu0  1  0.0  0.0  0.6  1.0
  Cu  Cu1  1  0.0  0.0  0.86  1.0
  Cu  Cu2  1  0.0  0.0  0.34  1.0

data_Y2Mg7Cu3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   10.91
_cell_angle_alpha   74.84
_cell_angle_beta   74.84
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2Mg7Cu3
_chemical_formula_sum   'Y2 Mg7 Cu3'
_cell_volume   293.05
_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  0.82  0.18  1.0
  Y  Y1  1  0.0  0.98  0.02  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Mg  Mg3  1  0.19  0.94  0.47  1.0
  Mg  Mg4  1  0.19  0.94  0.27  1.0
  Mg  Mg5  1  0.38  0.86  0.76  1.0
  Mg  Mg6  1  0.62  0.94  0.44  1.0
  Mg  Mg7  1  0.81  0.86  0.73  1.0
  Mg  Mg8  1  0.81  0.86  0.93  1.0
  Cu  Cu9  1  0.0  0.14  0.86  1.0
  Cu  Cu10  1  0.0  0.4  0.6  1.0
  Cu  Cu11  1  0.0  0.66  0.34  1.0

Y Y Mg Mg Mg Mg Mg Mg Mg Cu Cu Cu
Y Y Mg Mg Mg Mg Mg Mg Mg Cu Cu Cu 0 2 o o o 0 1 o o o 0 8 - o o 0 10 o o - 1 4 o - o 1 2 o o o 1 11 o o o 2 8 - o o 2 10 o o - 3 11 o o o 3 5 - o o 3 9 o o o 4 11 o + o 4 5 o o o 5 9 + + - 6 7 o o o 6 10 o + - 6 9 o + - 7 8 o o o 7 9 o o o 8 10 + o - 9 11 o o o 9 10 o o o 