data_[Er1Tm1Ga2I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.1656]
_cell_length_b [4.1656]
_cell_length_c [12.0564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [ErTm(GaI)2]
_chemical_formula_sum '[Er1 Tm1 Ga2 I2]'
_cell_volume [181.1808]
_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
[
  Er  Er0  1  0.0000  0.0000  0.6649  1
  Tm  Tm1  1  0.0000  0.0000  0.3351  1
  Ga  Ga2  1  0.3333  0.6667  0.5284  1
  Ga  Ga3  1  0.6667  0.3333  0.4715  1
  I  I4  1  0.3333  0.6667  0.1713  1
  I  I5  1  0.6667  0.3333  0.8289  1
]