data_[Er6Tm4Sc2Sb12]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7731]
_cell_length_b [4.3221]
_cell_length_c [8.6628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3270]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3Tm2ScSb6]
_chemical_formula_sum '[Er6 Tm4 Sc2 Sb12]'
_cell_volume [683.9577]
_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  0.1680  0.0000  0.8343  1.0
  Er  Er1  2  0.0000  0.5000  0.5000  1.0
  Tm  Tm2  4  0.1658  0.0000  0.3326  1.0
  Sc  Sc3  2  0.0000  0.5000  0.0000  1.0
  Sb  Sb4  4  0.0006  0.0000  0.7587  1.0
  Sb  Sb5  4  0.1632  0.5000  0.0823  1.0
  Sb  Sb6  4  0.1670  0.5000  0.5829  1.0
]