data_[Te4As4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6557]
_cell_length_b [6.3840]
_cell_length_c [6.6043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3367]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TeAsPd]
_chemical_formula_sum '[Te4 As4 Pd4]'
_cell_volume [273.0517]
_cell_formula_units_Z [4]
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
[
  Te  Te0  4  0.1532  0.6208  0.3423  1.0
  As  As1  4  0.3663  0.1276  0.6326  1.0
  Pd  Pd2  4  0.2635  0.0137  0.2491  1.0
]