data_[Mg1V3Co1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  V  1.6300  1.3500  0.7775
  Co  1.8800  1.3500  0.7683
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3706]
_cell_length_b [5.5675]
_cell_length_c [6.9600]
_cell_angle_alpha [92.0708]
_cell_angle_beta [91.2418]
_cell_angle_gamma [91.2135]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgV3CoO8]
_chemical_formula_sum '[Mg1 V3 Co1 O8]'
_cell_volume [207.8746]
_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  0.9968  0.5737  0.8726  1
  V  V1  1  0.0288  0.0666  0.1284  1
  V  V2  1  0.4868  0.4217  0.6224  1
  V  V3  1  0.9769  0.5777  0.3641  1
  Co  Co4  1  0.5138  0.9259  0.8815  1
  O  O5  1  0.3224  0.4920  0.4178  1
  O  O6  1  0.3487  0.0414  0.1037  1
  O  O7  1  0.3609  0.5967  0.8135  1
  O  O8  1  0.4355  0.1289  0.6697  1
  O  O9  1  0.8201  0.4898  0.6123  1
  O  O10  1  0.8698  0.8975  0.9277  1
  O  O11  1  0.9299  0.9018  0.3360  1
  O  O12  1  0.9474  0.3981  0.1168  1
]