data_[Er16Ga4Ru4]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8058]
_cell_length_b [13.0079]
_cell_length_c [6.1229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.0716]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Er4GaRu]
_chemical_formula_sum '[Er16 Ga4 Ru4]'
_cell_volume [612.9826]
_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  0.1194  0.1755  0.0845  1.0
  Er  Er1  8  0.2117  0.4331  0.3065  1.0
  Ga  Ga2  4  0.0000  0.3688  0.7500  1.0
  Ru  Ru3  4  0.0000  0.0001  0.7500  1.0
]