data_[Er4Tm12In8]
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 [Pnma]
_cell_length_a [10.8153]
_cell_length_b [3.5881]
_cell_length_c [16.9717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [ErTm3In2]
_chemical_formula_sum '[Er4 Tm12 In8]'
_cell_volume [658.6042]
_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  0.0043  0.7500  0.9095  1
  Tm  Tm1  4  0.0035  0.2500  0.4105  1
  Tm  Tm2  4  0.2489  0.7500  0.7223  1
  Tm  Tm3  4  0.2500  0.2500  0.5424  1
  In  In4  4  0.0017  0.7500  0.2509  1
  In  In5  4  0.2488  0.7500  0.3812  1
]