data_[Mg1Mn1Co3O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.7534]
_cell_length_b [5.7770]
_cell_length_c [5.8179]
_cell_angle_alpha [60.2919]
_cell_angle_beta [60.5332]
_cell_angle_gamma [89.7546]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MgMnCo3O8]
_chemical_formula_sum '[Mg1 Mn1 Co3 O8]'
_cell_volume [138.7019]
_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  0.5000  0.0000  0.5000  1
  Mn  Mn1  1  0.5000  0.5000  0.0000  1
  Co  Co2  1  0.0000  0.5000  0.5000  1
  Co  Co3  1  0.5000  0.0000  0.0000  1
  Co  Co4  1  0.5000  0.5000  0.5000  1
  O  O5  2  0.2741  0.2915  0.4633  1
  O  O6  2  0.2808  0.7535  0.9994  1
  O  O7  2  0.2849  0.7562  0.4555  1
  O  O8  2  0.3011  0.2648  0.9622  1
]