data_[Er16In2Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9695]
_cell_length_b [5.1284]
_cell_length_c [8.2309]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9845]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8InGa2]
_chemical_formula_sum '[Er16 In2 Ga4]'
_cell_volume [589.6726]
_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  0.0638  0.0000  0.7221  1.0
  Er  Er1  4  0.1023  0.5000  0.4602  1.0
  Er  Er2  4  0.1477  0.0000  0.2061  1.0
  Er  Er3  4  0.1838  0.5000  0.9586  1.0
  In  In4  2  0.0000  0.5000  0.0000  1.0
  Ga  Ga5  4  0.2208  0.0000  0.6247  1.0
]