data_Mg5Cu7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   6.55
_cell_angle_alpha   100.35
_cell_angle_beta   100.35
_cell_angle_gamma   129.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg5Cu7
_chemical_formula_sum   'Mg5 Cu7'
_cell_volume   195.53
_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  Mg7  1  0.0  0.0  0.31  1.0
  Mg  Mg8  1  0.51  0.51  0.7  1.0
  Mg  Mg9  1  0.68  0.68  0.47  1.0
  Mg  Mg10  1  0.68  0.32  0.47  1.0
  Mg  Mg11  1  0.32  0.68  0.47  1.0
  Cu  Cu0  1  0.0  0.0  0.54  1.0
  Cu  Cu1  1  0.2  0.0  0.65  1.0
  Cu  Cu2  1  0.0  0.2  0.65  1.0
  Cu  Cu3  1  0.11  0.0  0.29  1.0
  Cu  Cu4  1  0.28  0.0  0.29  1.0
  Cu  Cu5  1  0.0  0.11  0.29  1.0
  Cu  Cu6  1  0.0  0.28  0.29  1.0

data_Mg5Cu7
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.55
_cell_length_b   11.87
_cell_length_c   6.55
_cell_angle_alpha   90.0
_cell_angle_beta   115.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg5Cu7
_chemical_formula_sum   'Mg10 Cu14'
_cell_volume   391.05
_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  4  0.47  0.32  0.47  1.0
  Mg  Mg1  2  0.18  0.0  0.7  1.0
  Mg  Mg2  2  0.29  0.5  0.47  1.0
  Mg  Mg3  2  0.31  0.0  0.31  1.0
  Cu  Cu4  4  0.05  0.4  0.65  1.0
  Cu  Cu5  4  0.15  0.14  0.29  1.0
  Cu  Cu6  4  0.23  0.06  0.29  1.0
  Cu  Cu7  2  0.04  0.5  0.54  1.0

Mg Mg Mg Mg Mg Cu Cu Cu Cu Cu Cu Cu