data_[Na2Er2Ga4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [P2_1/c]
_cell_length_a [7.3808]
_cell_length_b [8.1101]
_cell_length_c [12.8542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.5632]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaEr(GaBr3)2]
_chemical_formula_sum '[Na2 Er2 Ga4 Br12]'
_cell_volume [648.4795]
_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
[
  Na  Na0  2  0.5000  0.0000  0.0000  1.0
  Er  Er1  2  0.0000  0.0000  0.5000  1.0
  Ga  Ga2  4  0.3070  0.0898  0.2870  1.0
  Br  Br3  4  0.1092  0.0535  0.7417  1.0
  Br  Br4  4  0.2506  0.7142  0.5767  1.0
  Br  Br5  4  0.3590  0.1772  0.5440  1.0
]