data_YMg2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.33
_cell_length_b   9.33
_cell_length_c   9.33
_cell_angle_alpha   21.4
_cell_angle_beta   21.4
_cell_angle_gamma   21.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg2Cu
_chemical_formula_sum   'Y1 Mg2 Cu1'
_cell_volume   94.78
_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  0.0  0.05  1.0
  Mg  Mg1  1  0.0  0.0  0.97  1.0
  Mg  Mg2  1  0.0  0.0  0.38  1.0
  Cu  Cu0  1  0.0  0.0  0.96  1.0

data_YMg2Cu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.0
_cell_length_b   3.47
_cell_length_c   9.33
_cell_angle_alpha   90.0
_cell_angle_beta   102.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YMg2Cu
_chemical_formula_sum   'Y2 Mg4 Cu2'
_cell_volume   189.55
_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  0.0  0.0  0.95  1.0
  Mg  Mg1  2  0.0  0.0  0.03  1.0
  Mg  Mg2  2  0.0  0.0  0.62  1.0
  Cu  Cu3  2  0.0  0.0  0.04  1.0

Y Mg Mg Cu