data_[Ac4Nd4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Nd  1.1400  1.8500  1.2765
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.5625]
_cell_length_b [4.6517]
_cell_length_c [17.8631]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [AcNdTe3]
_chemical_formula_sum '[Ac4 Nd4 Te12]'
_cell_volume [711.4926]
_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
[
  Ac  Ac0  4  0.1363  0.2500  0.7999  1
  Nd  Nd1  4  0.2295  0.7500  0.5423  1
  Te  Te2  4  0.0061  0.2500  0.6061  1
  Te  Te3  4  0.1208  0.7500  0.9390  1
  Te  Te4  4  0.1546  0.2500  0.2152  1
]