data_[La1Er1Ga2Br2]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.2146]
_cell_length_b [4.2146]
_cell_length_c [11.4503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [LaEr(GaBr)2]
_chemical_formula_sum '[La1 Er1 Ga2 Br2]'
_cell_volume [176.1390]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.3180  1
  Er  Er1  1  0.0000  0.0000  0.6828  1
  Ga  Ga2  1  0.3333  0.6667  0.5374  1
  Ga  Ga3  1  0.6667  0.3333  0.4781  1
  Br  Br4  1  0.3333  0.6667  0.1520  1
  Br  Br5  1  0.6667  0.3333  0.8317  1
]