data_[Zr2Sc10In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [6.3721]
_cell_length_b [12.7338]
_cell_length_c [4.5087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [ZrSc5In2]
_chemical_formula_sum '[Zr2 Sc10 In4]'
_cell_volume [365.8434]
_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
[
  Zr  Zr0  2  0.0000  0.5000  0.0000  1
  Sc  Sc1  4  0.0022  0.7471  0.0000  1
  Sc  Sc2  4  0.2392  0.3803  0.5000  1
  Sc  Sc3  2  0.0000  0.0000  0.0000  1
  In  In4  4  0.2438  0.1271  0.5000  1
]