data_[Mn2Zn2O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.2351]
_cell_length_b [5.7992]
_cell_length_c [6.1961]
_cell_angle_alpha [90.8746]
_cell_angle_beta [105.1087]
_cell_angle_gamma [91.9088]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MnZnO2]
_chemical_formula_sum '[Mn2 Zn2 O4]'
_cell_volume [112.1272]
_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  1  0.3638  0.3527  0.2469  1
  Mn  Mn1  1  0.4501  0.5926  0.7808  1
  Zn  Zn2  1  0.0268  0.8599  0.1272  1
  Zn  Zn3  1  0.8665  0.0864  0.5946  1
  O  O4  1  0.3723  0.2971  0.5891  1
  O  O5  1  0.5972  0.0150  0.2530  1
  O  O6  1  0.8147  0.5264  0.1165  1
  O  O7  1  0.9683  0.8223  0.7849  1
]