data_[Sr12Ca3Y9Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Y  1.2200  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.0568]
_cell_length_b [9.0568]
_cell_length_c [22.5790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr4CaY3Te8]
_chemical_formula_sum '[Sr12 Ca3 Y9 Te24]'
_cell_volume [1603.9357]
_cell_formula_units_Z [3]
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
[
  Sr  Sr0  9  0.0000  0.5000  0.0000  1.0
  Sr  Sr1  3  0.0000  0.0000  0.0000  1.0
  Ca  Ca2  3  -0.0000  -0.0000  0.5000  1.0
  Y  Y3  9  0.0000  0.5000  0.5000  1.0
  Te  Te4  18  0.0030  0.5015  0.7559  1.0
  Te  Te5  6  0.0000  0.0000  0.2438  1.0
]