data_[Er14In6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9849]
_cell_length_b [5.1482]
_cell_length_c [6.7193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9707]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er7In3]
_chemical_formula_sum '[Er14 In6]'
_cell_volume [558.8841]
_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  4  0.0894  0.5000  0.8600  1
  Er  Er1  4  0.1248  0.5000  0.3947  1
  Er  Er2  4  0.1995  0.0000  0.1686  1
  Er  Er3  2  0.0000  0.0000  0.5000  1
  In  In4  4  0.1935  0.0000  0.6865  1
  In  In5  2  0.0000  0.0000  0.0000  1
]