data_[Ca2La4In6Te12]
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
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.5920]
_cell_length_b [4.5757]
_cell_length_c [9.4764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2707]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaLa2(InTe2)3]
_chemical_formula_sum '[Ca2 La4 In6 Te12]'
_cell_volume [857.1343]
_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  0.5000  0.0000  1.0
  La  La1  4  0.1646  0.0000  0.3273  1.0
  In  In2  4  0.1642  0.0000  0.8337  1.0
  In  In3  2  0.0000  0.5000  0.5000  1.0
  Te  Te4  4  0.0036  0.0000  0.2425  1.0
  Te  Te5  4  0.1632  0.5000  0.0887  1.0
  Te  Te6  4  0.1700  0.5000  0.5722  1.0
]