data_[Er8Tm4In8]
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 [Cmc2_1]
_cell_length_a [5.3039]
_cell_length_b [15.9069]
_cell_length_c [6.4620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Er2TmIn2]
_chemical_formula_sum '[Er8 Tm4 In8]'
_cell_volume [545.1825]
_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  0.0000  0.0246  0.2867  1.0
  Er  Er1  4  0.0000  0.1961  0.8466  1.0
  Tm  Tm2  4  0.0000  0.4007  0.0794  1.0
  In  In3  4  0.0000  0.2135  0.3574  1.0
  In  In4  4  0.0000  0.4001  0.5643  1.0
]