data_[Er2Tm6]
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
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [19.1339]
_cell_length_b [6.0099]
_cell_length_c [6.4763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [ErTm3]
_chemical_formula_sum '[Er2 Tm6]'
_cell_volume [744.7256]
_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  0.4610  0.0854  0.7278  1
  Tm  Tm1  2  0.3920  0.4154  0.0984  1
  Tm  Tm2  2  0.5389  0.4137  0.3848  1
  Tm  Tm3  2  0.6081  0.0859  0.0134  1
]