data_[Er6Al14Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9416]
_cell_length_b [4.1476]
_cell_length_c [9.8553]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.8058]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3Al7Ga4]
_chemical_formula_sum '[Er6 Al14 Ga8]'
_cell_volume [528.4671]
_cell_formula_units_Z [2]
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  0.1795  0.5000  0.1849  1
  Er  Er1  2  0.0000  0.0000  0.5000  1
  Al  Al2  4  0.0122  0.5000  0.7966  1
  Al  Al3  4  0.1579  0.0000  0.9273  1
  Al  Al4  4  0.1784  0.5000  0.5230  1
  Al  Al5  2  0.0000  0.0000  0.0000  1
  Ga  Ga6  4  0.1192  0.0000  0.3380  1
  Ga  Ga7  4  0.1620  0.5000  0.7641  1
]