data_[Mg2Sc4Cr2O12]
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
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4086]
_cell_length_b [5.3949]
_cell_length_c [5.1282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.9189]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgSc2CrO6]
_chemical_formula_sum '[Mg2 Sc4 Cr2 O12]'
_cell_volume [218.5076]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.5000  1
  Sc  Sc1  4  0.2475  0.0000  0.8029  1
  Cr  Cr2  2  0.0000  0.0000  0.0000  1
  O  O3  8  0.0840  0.2473  0.8388  1
  O  O4  4  0.2233  0.0000  0.3817  1
]