data_[Mn2Zn12Cu10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8059]
_cell_length_b [7.2888]
_cell_length_c [11.4537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [MnZn6Cu5]
_chemical_formula_sum '[Mn2 Zn12 Cu10]'
_cell_volume [317.7320]
_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  0.0000  0.0000  0.0000  1
  Zn  Zn1  8  0.0000  0.2550  0.1666  1
  Zn  Zn2  4  0.0000  0.2430  0.5000  1
  Cu  Cu3  4  0.0000  0.0000  0.3279  1
  Cu  Cu4  4  0.0000  0.5000  0.3347  1
  Cu  Cu5  2  0.0000  0.5000  0.0000  1
]