data_[Er16Tm4In4]
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 [4.8384]
_cell_length_b [14.5710]
_cell_length_c [9.7796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Er4TmIn]
_chemical_formula_sum '[Er16 Tm4 In4]'
_cell_volume [689.4594]
_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  0.0002  0.8027  1
  Er  Er1  4  0.0000  0.1723  0.5527  1
  Er  Er2  4  0.0000  0.3324  0.8083  1
  Er  Er3  4  0.0000  0.4966  0.5527  1
  Tm  Tm4  4  0.0000  0.3329  0.2973  1
  In  In5  4  0.0000  0.1654  0.0527  1
]