data_[Er12Tm6In2]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.6655]
_cell_length_b [3.5061]
_cell_length_c [14.2072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2056]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Er6Tm3In]
_chemical_formula_sum '[Er12 Tm6 In2]'
_cell_volume [599.3072]
_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
[
  Er  Er0  2  0.1143  0.2500  0.7111  1.0
  Er  Er1  2  0.1628  0.7500  0.2835  1.0
  Er  Er2  2  0.2459  0.2500  0.1052  1.0
  Er  Er3  2  0.2816  0.7500  0.9002  1.0
  Er  Er4  2  0.3557  0.7500  0.6932  1.0
  Er  Er5  2  0.3617  0.2500  0.4778  1.0
  Tm  Tm6  2  0.0317  0.7500  0.9078  1.0
  Tm  Tm7  2  0.1225  0.7500  0.5044  1.0
  Tm  Tm8  2  0.4905  0.7500  0.1020  1.0
  In  In9  2  0.4225  0.7500  0.3033  1.0
]