data_[Sr1Mg6Co1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  Co  1.8800  1.3500  0.7683
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5003]
_cell_length_b [4.5003]
_cell_length_c [8.6738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [SrMg6CoO8]
_chemical_formula_sum '[Sr1 Mg6 Co1 O8]'
_cell_volume [175.6646]
_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
[
  Sr  Sr0  1  0.0000  0.0000  0.5000  1
  Mg  Mg1  4  0.0000  0.5000  0.2380  1
  Mg  Mg2  1  0.5000  0.5000  0.0000  1
  Mg  Mg3  1  0.5000  0.5000  0.5000  1
  Co  Co4  1  0.0000  0.0000  0.0000  1
  O  O5  2  0.0000  0.0000  0.2273  1
  O  O6  2  0.0000  0.5000  0.0000  1
  O  O7  2  0.0000  0.5000  0.5000  1
  O  O8  2  0.5000  0.5000  0.2487  1
]