data_[Er8Tm6In2]
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 [Pmn2_1]
_cell_length_a [11.0632]
_cell_length_b [6.9332]
_cell_length_c [6.0811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Er4Tm3In]
_chemical_formula_sum '[Er8 Tm6 In2]'
_cell_volume [466.4354]
_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  0.2398  0.1262  0.9909  1.0
  Er  Er1  2  0.0000  0.1315  0.6377  1.0
  Er  Er2  2  0.0000  0.8723  0.1646  1.0
  Tm  Tm3  4  0.2442  0.6173  0.9715  1.0
  Tm  Tm4  2  0.0000  0.6297  0.6385  1.0
  In  In5  2  0.0000  0.3786  0.1497  1.0
]