data_[Nd12Si2Te6P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1842]
_cell_length_b [4.2900]
_cell_length_c [8.8836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6084]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6SiTe3P2]
_chemical_formula_sum '[Nd12 Si2 Te6 P4]'
_cell_volume [704.1523]
_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  0.0071  0.0000  0.2336  1.0
  Nd  Nd1  4  0.1598  0.5000  0.1031  1.0
  Nd  Nd2  4  0.1744  0.5000  0.5638  1.0
  Si  Si3  2  0.0000  0.5000  0.0000  1.0
  Te  Te4  4  0.1668  0.0000  0.8323  1.0
  Te  Te5  2  0.0000  0.5000  0.5000  1.0
  P  P6  4  0.1674  0.0000  0.3349  1.0
]