data_[Ca6Sm4Dy2Te12]
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 [7.6309]
_cell_length_b [13.1965]
_cell_length_c [7.8689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8335]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3Sm2DyTe6]
_chemical_formula_sum '[Ca6 Sm4 Dy2 Te12]'
_cell_volume [749.9812]
_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  0.0000  0.1686  0.5000  1.0
  Ca  Ca1  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm2  4  0.0000  0.3348  0.0000  1.0
  Dy  Dy3  2  0.0000  0.0000  0.0000  1.0
  Te  Te4  8  0.2472  0.1643  0.2488  1.0
  Te  Te5  4  0.2444  0.0000  0.7494  1.0
]