data_[Er12Ga8Ni8]
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 [Pbcm]
_cell_length_a [5.4386]
_cell_length_b [7.8286]
_cell_length_c [12.8895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [Er3(GaNi)2]
_chemical_formula_sum '[Er12 Ga8 Ni8]'
_cell_volume [548.7956]
_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  0.1517  0.6014  0.0998  1
  Er  Er1  4  0.3593  0.2433  0.2500  1
  Ga  Ga2  4  0.1438  0.6074  0.7500  1
  Ga  Ga3  4  0.3489  0.2500  0.0000  1
  Ni  Ni4  8  0.3724  0.5357  0.5903  1
]