data_[Mg4Sc4Mn8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.2659]
_cell_length_b [6.3062]
_cell_length_c [8.9250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [MgScMn2O4]
_chemical_formula_sum '[Mg4 Sc4 Mn8 O16]'
_cell_volume [352.6642]
_cell_formula_units_Z [4]
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  4  0.2500  0.2500  0.7500  1
  Sc  Sc1  4  0.0000  0.0000  0.5000  1
  Mn  Mn2  4  0.0000  0.0000  0.0000  1
  Mn  Mn3  4  0.2500  0.2500  0.2500  1
  O  O4  8  0.0000  0.0140  0.7453  1
  O  O5  8  0.2433  0.2500  0.5098  1
]