data_[Nd12Si4Te6P2]
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 [19.2266]
_cell_length_b [4.3388]
_cell_length_c [8.8903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0908]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6Si2Te3P]
_chemical_formula_sum '[Nd12 Si4 Te6 P2]'
_cell_volume [716.0663]
_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  0.0069  0.0000  0.2315  1.0
  Nd  Nd1  4  0.1596  0.5000  0.0989  1.0
  Nd  Nd2  4  0.1725  0.5000  0.5679  1.0
  Si  Si3  4  0.1659  0.0000  0.3317  1.0
  Te  Te4  4  0.1664  0.0000  0.8341  1.0
  Te  Te5  2  0.0000  0.5000  0.5000  1.0
  P  P6  2  0.0000  0.5000  0.0000  1.0
]