data_[Mn6Zn14]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8126]
_cell_length_b [3.8653]
_cell_length_c [5.3727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9348]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn3Zn7]
_chemical_formula_sum '[Mn6 Zn14]'
_cell_volume [279.5691]
_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  4  0.1990  0.0000  0.6054  1
  Mn  Mn1  2  0.0000  0.0000  0.0000  1
  Zn  Zn2  4  0.1019  0.5000  0.3082  1
  Zn  Zn3  4  0.1019  0.5000  0.8095  1
  Zn  Zn4  4  0.1997  0.0000  0.1123  1
  Zn  Zn5  2  0.0000  0.0000  0.5000  1
]