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 [Amm2]
_cell_length_a [5.2329]
_cell_length_b [3.3032]
_cell_length_c [17.1070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [MgSc5]
_chemical_formula_sum '[Mg2 Sc10]'
_cell_volume [295.6987]
_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  0.5000  0.0000  0.7766  1.0
  Sc  Sc1  2  0.0000  0.0000  0.0009  1.0
  Sc  Sc2  2  0.0000  0.0000  0.3316  1.0
  Sc  Sc3  2  0.0000  0.0000  0.6668  1.0
  Sc  Sc4  2  0.5000  0.0000  0.1111  1.0
  Sc  Sc5  2  0.5000  0.0000  0.4464  1.0
]