data_[Mn2Al2Cu28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.3844]
_cell_length_b [5.2229]
_cell_length_c [8.9353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [MnAlCu14]
_chemical_formula_sum '[Mn2 Al2 Cu28]'
_cell_volume [391.2912]
_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
[
  Mn  Mn0  2  0.5000  0.0000  0.5413  1
  Al  Al1  2  0.5000  0.0000  0.0453  1
  Cu  Cu2  8  0.2470  0.2488  0.6255  1
  Cu  Cu3  4  0.0000  0.2486  0.9566  1
  Cu  Cu4  4  0.2467  0.0000  0.3745  1
  Cu  Cu5  4  0.2508  0.0000  0.8756  1
  Cu  Cu6  4  0.5000  0.2496  0.7921  1
  Cu  Cu7  2  0.0000  0.0000  0.2061  1
  Cu  Cu8  2  0.0000  0.0000  0.7078  1
]