data_[Nd12Ge4Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [12.3430]
_cell_length_b [15.2944]
_cell_length_c [7.4880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd3GeTe6]
_chemical_formula_sum '[Nd12 Ge4 Te24]'
_cell_volume [1413.5795]
_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
[
  Nd  Nd0  8  0.1817  0.0965  0.5130  1
  Nd  Nd1  4  0.0000  0.4052  0.6250  1
  Ge  Ge2  4  0.0000  0.2008  0.9746  1
  Te  Te3  8  0.1628  0.4622  0.3207  1
  Te  Te4  8  0.1721  0.2665  0.7894  1
  Te  Te5  4  0.0000  0.0344  0.8211  1
  Te  Te6  4  0.0000  0.2225  0.3477  1
]