data_[Sm6Er4Sc2Te12]
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 [19.1008]
_cell_length_b [4.3230]
_cell_length_c [8.7932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3667]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3Er2ScTe6]
_chemical_formula_sum '[Sm6 Er4 Sc2 Te12]'
_cell_volume [703.3807]
_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  0.1702  0.0000  0.8366  1.0
  Sm  Sm1  2  0.0000  0.5000  0.5000  1.0
  Er  Er2  4  0.1661  0.0000  0.3326  1.0
  Sc  Sc3  2  0.0000  0.5000  0.0000  1.0
  Te  Te4  4  0.0007  0.0000  0.2355  1.0
  Te  Te5  4  0.1598  0.5000  0.0872  1.0
  Te  Te6  4  0.1691  0.5000  0.5777  1.0
]