data_[Sm6Er8Te16]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3379]
_cell_length_b [12.3465]
_cell_length_c [8.7230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.9208]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3(ErTe2)4]
_chemical_formula_sum '[Sm6 Er8 Te16]'
_cell_volume [940.8874]
_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  0.2500  0.2500  0.5000  1.0
  Sm  Sm1  2  0.0000  0.5000  0.5000  1.0
  Er  Er2  4  0.2500  0.2500  0.0000  1.0
  Er  Er3  2  0.0000  0.0000  0.0000  1.0
  Er  Er4  2  0.0000  0.0000  0.5000  1.0
  Te  Te5  4  0.0000  0.2466  0.5000  1.0
  Te  Te6  4  0.0000  0.2528  0.0000  1.0
  Te  Te7  4  0.2492  0.0000  0.5052  1.0
  Te  Te8  4  0.2496  0.0000  0.9933  1.0
]