data_[Er4Sc16In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8517]
_cell_length_b [5.7235]
_cell_length_c [11.0689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8934]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [ErSc4In]
_chemical_formula_sum '[Er4 Sc16 In4]'
_cell_volume [600.2794]
_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
[
  Er  Er0  4  0.2500  0.2500  0.0000  1.0
  Sc  Sc1  8  0.0819  0.2470  0.5024  1.0
  Sc  Sc2  8  0.1636  0.4189  0.2505  1.0
  In  In3  4  0.0000  0.0751  0.7500  1.0
]