data_[Er24Tm4In12]
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 [10.4227]
_cell_length_b [15.2516]
_cell_length_c [7.5602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Er6TmIn3]
_chemical_formula_sum '[Er24 Tm4 In12]'
_cell_volume [1201.7906]
_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  8  0.2341  0.4670  0.3965  1
  Er  Er1  8  0.2361  0.3131  0.7068  1
  Er  Er2  4  0.0000  0.0451  0.2088  1
  Er  Er3  4  0.0000  0.3015  0.3625  1
  Tm  Tm4  4  0.0000  0.2024  0.9202  1
  In  In5  8  0.1463  0.1348  0.5690  1
  In  In6  4  0.0000  0.4464  0.6786  1
]