data_[Er12Tm2Sc4]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.9167]
_cell_length_b [16.8724]
_cell_length_c [3.5370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Er6TmSc2]
_chemical_formula_sum '[Er12 Tm2 Sc4]'
_cell_volume [532.1345]
_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  8  0.1843  0.3362  0.0000  1
  Er  Er1  4  0.1817  0.5000  0.5000  1
  Tm  Tm2  2  0.0000  0.0000  0.0000  1
  Sc  Sc3  4  0.0000  0.1859  0.5000  1
]