data_[Ca6Sm2Dy4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sm  1.1700  1.8500  1.2290
  Dy  1.2200  1.7500  1.1310
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4781]
_cell_length_b [4.4017]
_cell_length_c [8.9463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6318]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3Sm(DyTe3)2]
_chemical_formula_sum '[Ca6 Sm2 Dy4 Te12]'
_cell_volume [742.1535]
_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
[
  Ca  Ca0  4  0.1652  0.0000  0.8313  1
  Ca  Ca1  2  0.0000  0.5000  0.5000  1
  Sm  Sm2  2  0.0000  0.5000  0.0000  1
  Dy  Dy3  4  0.1637  0.0000  0.3265  1
  Te  Te4  4  0.0007  0.0000  0.2532  1
  Te  Te5  4  0.1681  0.5000  0.0854  1
  Te  Te6  4  0.1694  0.5000  0.5774  1
]