data_[Nd12Te24As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [12.2752]
_cell_length_b [15.1672]
_cell_length_c [7.6933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd3Te6As]
_chemical_formula_sum '[Nd12 Te24 As4]'
_cell_volume [1432.3457]
_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  0.1816  0.0957  0.5177  1
  Nd  Nd1  4  0.0000  0.4031  0.6195  1
  Te  Te2  8  0.1622  0.4645  0.3189  1
  Te  Te3  8  0.1718  0.2658  0.7911  1
  Te  Te4  4  0.0000  0.0317  0.8127  1
  Te  Te5  4  0.0000  0.2222  0.3583  1
  As  As6  4  0.0000  0.1987  0.9687  1
]