data_[Er12Ga12Ni4]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5383]
_cell_length_b [4.2377]
_cell_length_c [14.0423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9151]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3Ga3Ni]
_chemical_formula_sum '[Er12 Ga12 Ni4]'
_cell_volume [589.5986]
_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  4  0.0299  0.5000  0.3845  1
  Er  Er1  4  0.1045  0.5000  0.9221  1
  Er  Er2  4  0.2418  0.5000  0.2355  1
  Ga  Ga3  4  0.0344  0.0000  0.2365  1
  Ga  Ga4  4  0.1112  0.0000  0.0766  1
  Ga  Ga5  4  0.1476  0.0000  0.5402  1
  Ni  Ni6  4  0.2472  0.0000  0.3929  1
]