data_[Sc2Al24Cr10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [7.5794]
_cell_length_b [8.3229]
_cell_length_c [8.9766]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [ScAl12Cr5]
_chemical_formula_sum '[Sc2 Al24 Cr10]'
_cell_volume [566.2624]
_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
[
  Sc  Sc0  2  0.0000  0.0000  0.5000  1
  Al  Al1  8  0.0000  0.2882  0.3226  1
  Al  Al2  8  0.1874  0.2746  0.0000  1
  Al  Al3  8  0.1968  0.0000  0.2450  1
  Cr  Cr4  4  0.0000  0.5000  0.1225  1
  Cr  Cr5  4  0.1531  0.5000  0.5000  1
  Cr  Cr6  2  0.0000  0.0000  0.0000  1
]