data_[Nd12Ga4Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [12.3937]
_cell_length_b [15.2699]
_cell_length_c [7.4041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd3GaTe6]
_chemical_formula_sum '[Nd12 Ga4 Te24]'
_cell_volume [1401.2318]
_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  0.1808  0.0960  0.5095  1.0
  Nd  Nd1  4  0.0000  0.4046  0.6248  1.0
  Ga  Ga2  4  0.0000  0.2039  0.9767  1.0
  Te  Te3  8  0.1632  0.4620  0.3190  1.0
  Te  Te4  8  0.1691  0.2659  0.7957  1.0
  Te  Te5  4  0.0000  0.0406  0.8309  1.0
  Te  Te6  4  0.0000  0.2217  0.3336  1.0
]