data_[Er8Ga12Ni16]
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 [Cmce]
_cell_length_a [5.3407]
_cell_length_b [14.8894]
_cell_length_c [7.0754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Er2Ga3Ni4]
_chemical_formula_sum '[Er8 Ga12 Ni16]'
_cell_volume [562.6410]
_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  0.0000  0.1056  0.5869  1.0
  Ga  Ga1  8  0.2500  0.2339  0.2500  1.0
  Ga  Ga2  4  0.0000  0.0000  0.0000  1.0
  Ni  Ni3  8  0.0000  0.1730  0.9871  1.0
  Ni  Ni4  8  0.2500  0.0686  0.2500  1.0
]