data_[Mg1Cr1Co5O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cr  1.6600  1.4000  0.9400
  Co  1.8800  1.3500  0.7683
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9573]
_cell_length_b [4.9626]
_cell_length_c [10.0238]
_cell_angle_alpha [93.9099]
_cell_angle_beta [94.3109]
_cell_angle_gamma [119.4534]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgCrCo5O12]
_chemical_formula_sum '[Mg1 Cr1 Co5 O12]'
_cell_volume [212.5421]
_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  0.4222  0.7636  0.2523  1
  Cr  Cr1  1  0.0108  0.0183  0.0034  1
  Co  Co2  1  0.1490  0.8230  0.5004  1
  Co  Co3  1  0.3385  0.6796  0.9859  1
  Co  Co4  1  0.4790  0.4916  0.5010  1
  Co  Co5  1  0.6775  0.3517  0.0040  1
  Co  Co6  1  0.8156  0.1593  0.5063  1
  O  O7  1  0.0561  0.7027  0.1033  1
  O  O8  1  0.1507  0.4942  0.3914  1
  O  O9  1  0.1828  0.1876  0.5921  1
  O  O10  1  0.3298  0.0010  0.9037  1
  O  O11  1  0.3825  0.4051  0.1032  1
  O  O12  1  0.4511  0.1175  0.4001  1
  O  O13  1  0.4771  0.8203  0.5993  1
  O  O14  1  0.6455  0.6430  0.9039  1
  O  O15  1  0.6792  0.0290  0.1034  1
  O  O16  1  0.7736  0.7966  0.4009  1
  O  O17  1  0.8456  0.5256  0.5918  1
  O  O18  1  0.9709  0.3276  0.9035  1
]