data_[Mn2Cu28Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.4173]
_cell_length_b [5.1437]
_cell_length_c [9.0575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [MnCu14Ge]
_chemical_formula_sum '[Mn2 Cu28 Ge2]'
_cell_volume [392.1553]
_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  0.9634  1
  Cu  Cu1  8  0.2451  0.2475  0.8739  1
  Cu  Cu2  4  0.0000  0.2483  0.5393  1
  Cu  Cu3  4  0.2455  0.0000  0.1253  1
  Cu  Cu4  4  0.2496  0.0000  0.6257  1
  Cu  Cu5  4  0.5000  0.2490  0.2120  1
  Cu  Cu6  2  0.0000  0.0000  0.2897  1
  Cu  Cu7  2  0.0000  0.0000  0.7877  1
  Ge  Ge8  2  0.5000  0.0000  0.4589  1
]