data_[Er2Tm4Sc6Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2213]
_cell_length_b [3.9461]
_cell_length_c [7.8976]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3327]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErTm2(ScSe2)3]
_chemical_formula_sum '[Er2 Tm4 Sc6 Se12]'
_cell_volume [522.2251]
_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  0.0000  0.5000  0.0000  1.0
  Tm  Tm1  4  0.1662  0.0000  0.3324  1.0
  Sc  Sc2  4  0.1659  0.0000  0.8335  1.0
  Sc  Sc3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  4  0.0022  0.0000  0.7429  1.0
  Se  Se5  4  0.1647  0.5000  0.5888  1.0
  Se  Se6  4  0.1696  0.5000  0.0780  1.0
]