data_[Er4Tm6Sc2Se12]
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 [17.4317]
_cell_length_b [3.9944]
_cell_length_c [8.0304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4481]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2Tm3ScSe6]
_chemical_formula_sum '[Er4 Tm6 Sc2 Se12]'
_cell_volume [543.8201]
_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  0.1662  0.0000  0.3325  1
  Tm  Tm1  4  0.1690  0.0000  0.8351  1
  Tm  Tm2  2  0.0000  0.5000  0.5000  1
  Sc  Sc3  2  0.0000  0.5000  0.0000  1
  Se  Se4  4  0.0016  0.0000  0.7567  1
  Se  Se5  4  0.1631  0.5000  0.0802  1
  Se  Se6  4  0.1661  0.5000  0.5845  1
]