data_[Mg10Sc4In2]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.0450]
_cell_length_b [6.3017]
_cell_length_c [11.2881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Mg5Sc2In]
_chemical_formula_sum '[Mg10 Sc4 In2]'
_cell_volume [358.8766]
_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  4  0.0000  0.2489  0.0798  1
  Mg  Mg1  4  0.5000  0.2454  0.4218  1
  Mg  Mg2  2  0.5000  0.0000  0.1678  1
  Sc  Sc3  2  0.0000  0.0000  0.3286  1
  Sc  Sc4  2  0.5000  0.0000  0.6731  1
  In  In5  2  0.0000  0.0000  0.8274  1
]