data_[Mg2Sc10]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.8865]
_cell_length_b [3.2860]
_cell_length_c [7.7264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3924]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgSc5]
_chemical_formula_sum '[Mg2 Sc10]'
_cell_volume [292.3162]
_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  0.4971  0.5000  0.9994  1.0
  Sc  Sc1  2  0.0606  0.0000  0.6065  1.0
  Sc  Sc2  2  0.1691  0.5000  0.3370  1.0
  Sc  Sc3  2  0.2175  0.5000  0.9432  1.0
  Sc  Sc4  2  0.3360  0.0000  0.6686  1.0
  Sc  Sc5  2  0.3863  0.0000  0.2786  1.0
]