data_[Er24Ga40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.9335]
_cell_length_b [13.1451]
_cell_length_c [17.8117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Er3Ga5]
_chemical_formula_sum '[Er24 Ga40]'
_cell_volume [1389.2407]
_cell_formula_units_Z [8]
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  16  0.0000  0.0000  0.3249  1
  Er  Er1  8  0.0000  0.0000  0.0000  1
  Ga  Ga2  32  0.0299  0.4054  0.6694  1
  Ga  Ga3  8  0.0000  0.0000  0.5000  1
]