data_[Er4Nb6Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Nb  1.6000  1.4500  0.8200
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3252]
_cell_length_b [7.1361]
_cell_length_c [7.0923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5249]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Er2Nb3Ga4]
_chemical_formula_sum '[Er4 Nb6 Ga8]'
_cell_volume [349.4158]
_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  0.1909  0.6596  0.5646  1
  Nb  Nb1  4  0.2608  0.1867  0.7479  1
  Nb  Nb2  2  0.5000  0.0000  0.5000  1
  Ga  Ga3  4  0.0791  0.0402  0.3663  1
  Ga  Ga4  4  0.4849  0.6264  0.3653  1
]