data_[Mn4Zn12]
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 [Pnma]
_cell_length_a [4.8381]
_cell_length_b [8.8416]
_cell_length_c [5.4062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [MnZn3]
_chemical_formula_sum '[Mn4 Zn12]'
_cell_volume [231.2578]
_cell_formula_units_Z [4]
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  0.0650  0.2500  0.6221  1.0
  Zn  Zn1  8  0.2475  0.5028  0.3701  1.0
  Zn  Zn2  4  0.0630  0.2500  0.1142  1.0
]