data_[Mg2Zn2Co4]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.3170]
_cell_length_b [2.7855]
_cell_length_c [4.3651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5153]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgZnCo2]
_chemical_formula_sum '[Mg2 Zn2 Co4]'
_cell_volume [106.0986]
_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
[
  Mg  Mg0  2  0.0102  0.5000  0.5245  1
  Zn  Zn1  2  0.2321  0.5000  0.2150  1
  Co  Co2  2  0.2717  0.0000  0.7547  1
  Co  Co3  2  0.4861  0.5000  0.0058  1
]