data_[Y2Sc4In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.9392]
_cell_length_b [4.9158]
_cell_length_c [10.5845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [YSc2In]
_chemical_formula_sum '[Y2 Sc4 In2]'
_cell_volume [204.9622]
_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
[
  Y  Y0  2  0.0000  0.5000  0.5182  1.0
  Sc  Sc1  2  0.0000  0.0000  0.7479  1.0
  Sc  Sc2  2  0.0000  0.5000  0.9761  1.0
  In  In3  2  0.0000  0.0000  0.2578  1.0
]