data_[Mg4Mn4Co4]
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
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.9056]
_cell_length_b [6.3372]
_cell_length_c [6.6050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [MgMnCo]
_chemical_formula_sum '[Mg4 Mn4 Co4]'
_cell_volume [163.4782]
_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
[
  Mg  Mg0  2  0.0000  0.0000  0.4505  1
  Mg  Mg1  2  0.0000  0.5000  0.3087  1
  Mn  Mn2  4  0.0000  0.1632  0.0445  1
  Co  Co3  4  0.0000  0.3173  0.7224  1
]