data_[Mg1Mn3Zn2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [5.1709]
_cell_length_b [5.5954]
_cell_length_c [6.0103]
_cell_angle_alpha [62.9757]
_cell_angle_beta [85.9337]
_cell_angle_gamma [82.3863]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgMn3Zn2O8]
_chemical_formula_sum '[Mg1 Mn3 Zn2 O8]'
_cell_volume [153.5327]
_cell_formula_units_Z [1]
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
[
  Mg  Mg0  1  0.9963  0.4931  0.9983  1.0
  Mn  Mn1  1  0.0004  0.7653  0.2694  1.0
  Mn  Mn2  1  0.4993  0.9977  0.0087  1.0
  Mn  Mn3  1  0.9969  0.2301  0.7177  1.0
  Zn  Zn4  1  0.4684  0.7097  0.6469  1.0
  Zn  Zn5  1  0.5256  0.2939  0.3527  1.0
  O  O6  1  0.1288  0.6026  0.6095  1.0
  O  O7  1  0.1619  0.1026  0.1135  1.0
  O  O8  1  0.3005  0.6154  0.1392  1.0
  O  O9  1  0.3539  0.0665  0.6805  1.0
  O  O10  1  0.6566  0.9342  0.3275  1.0
  O  O11  1  0.6975  0.3846  0.8508  1.0
  O  O12  1  0.8513  0.8788  0.9302  1.0
  O  O13  1  0.8624  0.4258  0.3550  1.0
]