data_[Er6Ti6Ga16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ti  1.5400  1.4000  0.8517
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2202]
_cell_length_b [9.3927]
_cell_length_c [13.3731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Er3Ti3Ga8]
_chemical_formula_sum '[Er6 Ti6 Ga16]'
_cell_volume [530.1031]
_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  0.0000  0.0000  0.2055  1
  Er  Er1  2  0.0000  0.0000  0.5000  1
  Ti  Ti2  4  0.0000  0.1816  0.0000  1
  Ti  Ti3  2  0.0000  0.5000  0.5000  1
  Ga  Ga4  8  0.0000  0.2865  0.3640  1
  Ga  Ga5  8  0.0000  0.3644  0.1565  1
]