data_[Nd12Te6As4P2]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2516]
_cell_length_b [4.3179]
_cell_length_c [8.8531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4569]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6Te3As2P]
_chemical_formula_sum '[Nd12 Te6 As4 P2]'
_cell_volume [709.3135]
_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  0.0052  0.0000  0.2260  1.0
  Nd  Nd1  4  0.1559  0.5000  0.0952  1.0
  Nd  Nd2  4  0.1726  0.5000  0.5672  1.0
  Te  Te3  4  0.1682  0.0000  0.8340  1.0
  Te  Te4  2  0.0000  0.5000  0.5000  1.0
  As  As5  4  0.1665  0.0000  0.3329  1.0
  P  P6  2  0.0000  0.5000  0.0000  1.0
]