data_[Sm6Er2Sc4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9486]
_cell_length_b [4.2973]
_cell_length_c [8.7446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3746]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3Er(ScTe3)2]
_chemical_formula_sum '[Sm6 Er2 Sc4 Te12]'
_cell_volume [689.7648]
_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
[
  Sm  Sm0  4  0.1631  0.0000  0.8288  1.0
  Sm  Sm1  2  0.0000  0.5000  0.5000  1.0
  Er  Er2  2  0.0000  0.5000  0.0000  1.0
  Sc  Sc3  4  0.1674  0.0000  0.3338  1.0
  Te  Te4  4  0.0070  0.0000  0.2466  1.0
  Te  Te5  4  0.1661  0.5000  0.0967  1.0
  Te  Te6  4  0.1715  0.5000  0.5699  1.0
]