data_MgCu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   10.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCu5
_chemical_formula_sum   'Mg1 Cu5'
_cell_volume   77.71
_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
  Mg  Mg5  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.38  0.38  0.93  1.0
  Cu  Cu1  1  0.0  0.0  0.54  1.0
  Cu  Cu2  1  0.38  0.38  0.12  1.0
  Cu  Cu3  1  0.0  0.0  0.7  1.0
  Cu  Cu4  1  0.38  0.38  0.31  1.0

data_MgCu5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   10.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgCu5
_chemical_formula_sum   'Mg2 Cu10'
_cell_volume   155.43
_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
  Mg  Mg0  2  0.0  0.0  0.0  1.0
  Cu  Cu1  2  0.0  0.0  0.54  1.0
  Cu  Cu2  2  0.0  0.0  0.7  1.0
  Cu  Cu3  2  0.38  0.0  0.12  1.0
  Cu  Cu4  2  0.38  0.0  0.31  1.0
  Cu  Cu5  2  0.38  0.0  0.93  1.0

Mg Cu Cu Cu Cu Cu