data_[Mg4Sc12In4]
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 [Cmcm]
_cell_length_a [4.6962]
_cell_length_b [20.9364]
_cell_length_c [4.6933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [MgSc3In]
_chemical_formula_sum '[Mg4 Sc12 In4]'
_cell_volume [461.4486]
_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  0.0000  0.3492  0.7500  1
  Sc  Sc1  4  0.0000  0.0540  0.2500  1
  Sc  Sc2  4  0.0000  0.2500  0.2500  1
  Sc  Sc3  4  0.0000  0.4487  0.2500  1
  In  In4  4  0.0000  0.1534  0.7500  1
]