data_[La6Er2Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Er  1.2400  1.7500  1.0300
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [5.2233]
_cell_length_b [9.8107]
_cell_length_c [6.7242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [La3ErGa2]
_chemical_formula_sum '[La6 Er2 Ga4]'
_cell_volume [344.5789]
_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
[
  La  La0  2  0.0000  0.0524  0.4834  1
  La  La1  2  0.0000  0.3358  0.8096  1
  La  La2  2  0.5000  0.1764  0.1901  1
  Er  Er3  2  0.5000  0.4427  0.5112  1
  Ga  Ga4  2  0.0000  0.3528  0.2962  1
  Ga  Ga5  2  0.5000  0.1519  0.7096  1
]