data_[Ca2La8Te10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [I4/mmm]
_cell_length_a [4.5624]
_cell_length_b [4.5624]
_cell_length_c [32.3934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [CaLa4Te5]
_chemical_formula_sum '[Ca2 La8 Te10]'
_cell_volume [674.2786]
_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  2  0.0000  0.0000  0.0000  1.0
  La  La1  4  0.0000  0.0000  0.1987  1.0
  La  La2  4  0.0000  0.0000  0.3984  1.0
  Te  Te3  4  0.0000  0.0000  0.0976  1.0
  Te  Te4  4  0.0000  0.0000  0.2990  1.0
  Te  Te5  2  0.0000  0.0000  0.5000  1.0
]