data_[Nd12Te4As6Se2]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0857]
_cell_length_b [4.3103]
_cell_length_c [8.7739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7516]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6Te2As3Se]
_chemical_formula_sum '[Nd12 Te4 As6 Se2]'
_cell_volume [697.9872]
_cell_formula_units_Z [2]
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  4  0.0067  0.0000  0.7450  1.0
  Nd  Nd1  4  0.1595  0.5000  0.6010  1.0
  Nd  Nd2  4  0.1688  0.5000  0.0658  1.0
  Te  Te3  4  0.1664  0.0000  0.3342  1.0
  As  As4  4  0.1680  0.0000  0.8353  1.0
  As  As5  2  0.0000  0.5000  0.5000  1.0
  Se  Se6  2  0.0000  0.5000  0.0000  1.0
]