data_[Er2Ga5Ni5]
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 [Pmmm]
_cell_length_a [4.0046]
_cell_length_b [5.1326]
_cell_length_c [8.7894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Er2(GaNi)5]
_chemical_formula_sum '[Er2 Ga5 Ni5]'
_cell_volume [180.6575]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Er  Er1  1  0.0000  0.5000  0.0000  1.0
  Ga  Ga2  4  0.5000  0.2496  0.2358  1.0
  Ga  Ga3  1  0.5000  0.5000  0.5000  1.0
  Ni  Ni4  2  0.0000  0.0000  0.1709  1.0
  Ni  Ni5  2  0.0000  0.5000  0.3351  1.0
  Ni  Ni6  1  0.5000  0.0000  0.0000  1.0
]