data_[Nd4Er4Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.4890]
_cell_length_b [4.2234]
_cell_length_c [11.3360]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NdErGa2]
_chemical_formula_sum '[Nd4 Er4 Ga8]'
_cell_volume [406.4248]
_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
[
  Nd  Nd0  4  0.1406  0.2500  0.8610  1.0
  Er  Er1  4  0.0124  0.7500  0.6175  1.0
  Ga  Ga2  4  0.1395  0.2500  0.1596  1.0
  Ga  Ga3  4  0.2480  0.7500  0.0571  1.0
]