data_[Sr4Ca6La2Te12]
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
  La  1.1000  1.9500  1.1720
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.0551]
_cell_length_b [4.5898]
_cell_length_c [9.2229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1398]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Ca3LaTe6]
_chemical_formula_sum '[Sr4 Ca6 La2 Te12]'
_cell_volume [826.7325]
_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
[
  Sr  Sr0  4  0.1669  0.0000  0.3346  1.0
  Ca  Ca1  4  0.1671  0.0000  0.8329  1.0
  Ca  Ca2  2  0.0000  0.5000  0.5000  1.0
  La  La3  2  0.0000  0.5000  0.0000  1.0
  Te  Te4  4  0.0029  0.0000  0.7480  1.0
  Te  Te5  4  0.1633  0.5000  0.5912  1.0
  Te  Te6  4  0.1672  0.5000  0.0748  1.0
]