data_[Sr6Ca2Nd4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  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 [20.1516]
_cell_length_b [4.5775]
_cell_length_c [9.3081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9296]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3Ca(NdTe3)2]
_chemical_formula_sum '[Sr6 Ca2 Nd4 Te12]'
_cell_volume [833.3635]
_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  0.1664  0.0000  0.8368  1.0
  Sr  Sr1  2  0.0000  0.5000  0.5000  1.0
  Ca  Ca2  2  0.0000  0.5000  0.0000  1.0
  Nd  Nd3  4  0.1692  0.0000  0.3410  1.0
  Te  Te4  4  0.0038  0.0000  0.2427  1.0
  Te  Te5  4  0.1641  0.5000  0.0927  1.0
  Te  Te6  4  0.1678  0.5000  0.5822  1.0
]