data_[Ca2Mg12Co2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.8842]
_cell_length_b [6.2694]
_cell_length_c [11.7891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CaMg6Co]
_chemical_formula_sum '[Ca2 Mg12 Co2]'
_cell_volume [360.9958]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.8057  1
  Mg  Mg1  4  0.0000  0.2420  0.5788  1
  Mg  Mg2  4  0.5000  0.2427  0.4392  1
  Mg  Mg3  2  0.0000  0.0000  0.3420  1
  Mg  Mg4  2  0.5000  0.0000  0.1811  1
  Co  Co5  2  0.5000  0.0000  0.6351  1
]