data_[Er1Tm1Sc1In1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.6880]
_cell_length_b [4.7187]
_cell_length_c [4.7222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [ErTmScIn]
_chemical_formula_sum '[Er1 Tm1 Sc1 In1]'
_cell_volume [104.4608]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1.0
  Tm  Tm1  1  0.0000  0.0000  0.0000  1.0
  Sc  Sc2  1  0.5000  0.0000  0.5000  1.0
  In  In3  1  0.5000  0.5000  0.0000  1.0
]