data_[Ti2Te12Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7857]
_cell_length_b [3.9744]
_cell_length_c [11.3489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6798]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti(Te3Pd)2]
_chemical_formula_sum '[Ti2 Te12 Pd4]'
_cell_volume [505.9491]
_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
[
  Ti  Ti0  2  0.0000  0.0000  0.5000  1
  Te  Te1  4  0.0027  0.0000  0.2578  1
  Te  Te2  4  0.1711  0.5000  0.0664  1
  Te  Te3  4  0.1747  0.5000  0.5904  1
  Pd  Pd4  4  0.1657  0.5000  0.8267  1
]