data_[Er12Tm4Ga8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7766]
_cell_length_b [5.0089]
_cell_length_c [8.7789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8414]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3TmGa2]
_chemical_formula_sum '[Er12 Tm4 Ga8]'
_cell_volume [613.4387]
_cell_formula_units_Z [4]
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  0.0607  0.0000  0.7177  1
  Er  Er1  4  0.1217  0.5000  0.5131  1
  Er  Er2  4  0.1870  0.5000  0.9923  1
  Tm  Tm3  4  0.1303  0.0000  0.1903  1
  Ga  Ga4  4  0.0176  0.5000  0.1529  1
  Ga  Ga5  4  0.2276  0.0000  0.6160  1
]