data_[Mg1Mn2Co4O12]
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 [P1]
_cell_length_a [4.9492]
_cell_length_b [5.0157]
_cell_length_c [10.0018]
_cell_angle_alpha [93.5119]
_cell_angle_beta [94.3892]
_cell_angle_gamma [119.4482]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgMn2(CoO3)4]
_chemical_formula_sum '[Mg1 Mn2 Co4 O12]'
_cell_volume [214.1631]
_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  0.4302  0.7533  0.2523  1
  Mn  Mn1  1  0.0157  0.0224  0.0023  1
  Mn  Mn2  1  0.4887  0.4675  0.5022  1
  Co  Co3  1  0.1576  0.7998  0.5025  1
  Co  Co4  1  0.3504  0.6888  0.9848  1
  Co  Co5  1  0.6863  0.3595  0.0013  1
  Co  Co6  1  0.8249  0.1349  0.5083  1
  O  O7  1  0.0656  0.7166  0.1000  1
  O  O8  1  0.1569  0.4768  0.3909  1
  O  O9  1  0.1864  0.1556  0.5963  1
  O  O10  1  0.3258  0.0017  0.9038  1
  O  O11  1  0.3794  0.4010  0.0993  1
  O  O12  1  0.4595  0.0944  0.4006  1
  O  O13  1  0.4862  0.7996  0.6025  1
  O  O14  1  0.6611  0.6864  0.8971  1
  O  O15  1  0.6932  0.0096  0.1062  1
  O  O16  1  0.7874  0.7797  0.4007  1
  O  O17  1  0.8606  0.5010  0.5954  1
  O  O18  1  0.9841  0.3265  0.9036  1
]