data_YMgCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.91
_cell_length_b   7.91
_cell_length_c   7.91
_cell_angle_alpha   146.77
_cell_angle_beta   146.77
_cell_angle_gamma   47.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgCu2
_chemical_formula_sum   'Y2 Mg2 Cu4'
_cell_volume   148.25
_cell_formula_units_Z   2
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  Y6  1  0.0  0.26  0.62  1.0
  Y  Y7  1  0.26  0.0  0.62  1.0
  Mg  Mg4  1  0.0  0.0  0.07  1.0
  Mg  Mg5  1  0.0  0.0  0.4  1.0
  Cu  Cu0  1  0.26  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.26  0.0  1.0
  Cu  Cu2  1  0.0  0.0  0.62  1.0
  Cu  Cu3  1  0.0  0.0  0.86  1.0

data_YMgCu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   7.91
_cell_angle_alpha   90.0
_cell_angle_beta   113.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YMgCu2
_chemical_formula_sum   'Y4 Mg4 Cu8'
_cell_volume   296.5
_cell_formula_units_Z   4
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  4  0.49  0.13  0.36  1.0
  Mg  Mg1  2  0.07  0.0  0.07  1.0
  Mg  Mg2  2  0.4  0.0  0.4  1.0
  Cu  Cu3  4  0.37  0.37  0.74  1.0
  Cu  Cu4  2  0.12  0.5  0.62  1.0
  Cu  Cu5  2  0.36  0.5  0.86  1.0

Y Y Mg Mg Cu Cu Cu Cu