data_[Sr6Pr4Nd2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.3129]
_cell_length_b [4.5628]
_cell_length_c [9.3361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1075]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3Pr2NdTe6]
_chemical_formula_sum '[Sr6 Pr4 Nd2 Te12]'
_cell_volume [835.3994]
_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
[
  Sr  Sr0  4  0.1671  0.0000  0.8337  1.0
  Sr  Sr1  2  0.0000  0.5000  0.5000  1.0
  Pr  Pr2  4  0.1672  0.0000  0.3345  1.0
  Nd  Nd3  2  0.0000  0.5000  0.0000  1.0
  Te  Te4  4  0.0015  0.0000  0.2445  1.0
  Te  Te5  4  0.1642  0.5000  0.0866  1.0
  Te  Te6  4  0.1679  0.5000  0.5804  1.0
]