data_[Er6Ga8Pd4]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5556]
_cell_length_b [4.4259]
_cell_length_c [8.4519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1740]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3(Ga2Pd)2]
_chemical_formula_sum '[Er6 Ga8 Pd4]'
_cell_volume [360.2277]
_cell_formula_units_Z [2]
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  0.1796  0.5000  0.6435  1.0
  Er  Er1  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  4  0.0204  0.0000  0.3595  1.0
  Ga  Ga3  4  0.2423  0.5000  0.0810  1.0
  Pd  Pd4  4  0.0968  0.5000  0.2654  1.0
]