data_[Mg1Zn2Co4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  Co  1.8800  1.3500  0.7683
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.9381]
_cell_length_b [6.0887]
_cell_length_c [6.1681]
_cell_angle_alpha [118.5169]
_cell_angle_beta [117.6773]
_cell_angle_gamma [90.4702]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgZn2(CoO2)4]
_chemical_formula_sum '[Mg1 Zn2 Co4 O8]'
_cell_volume [165.7808]
_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  0.5750  0.3562  0.6848  1
  Zn  Zn1  1  0.3109  0.0415  0.1028  1
  Zn  Zn2  1  0.6856  0.9168  0.8175  1
  Co  Co3  1  0.0770  0.5600  0.1263  1
  Co  Co4  1  0.5213  0.5501  0.1189  1
  Co  Co5  1  0.9818  0.0224  0.4917  1
  Co  Co6  1  0.9984  0.4814  0.4934  1
  O  O7  1  0.1930  0.1978  0.4329  1
  O  O8  1  0.2105  0.2590  0.9509  1
  O  O9  1  0.2189  0.6770  0.9518  1
  O  O10  1  0.2770  0.7493  0.5218  1
  O  O11  1  0.7094  0.2128  0.4325  1
  O  O12  1  0.7596  0.3026  0.0187  1
  O  O13  1  0.7680  0.7282  0.0237  1
  O  O14  1  0.8073  0.7782  0.5301  1
]