data_[Er4Tm6In6]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4123]
_cell_length_b [4.8371]
_cell_length_c [20.0866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Er2(TmIn)3]
_chemical_formula_sum '[Er4 Tm6 In6]'
_cell_volume [428.7045]
_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
[
  Er  Er0  4  0.0000  0.5000  0.2598  1
  Tm  Tm1  4  0.0000  0.0000  0.3809  1
  Tm  Tm2  2  0.0000  0.5000  0.5000  1
  In  In3  4  0.0000  0.0000  0.1253  1
  In  In4  2  0.0000  0.5000  0.0000  1
]