data_[Ca8Nd2Te10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [I4/mmm]
_cell_length_a [4.5065]
_cell_length_b [4.5065]
_cell_length_c [31.9956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ca4NdTe5]
_chemical_formula_sum '[Ca8 Nd2 Te10]'
_cell_volume [649.7963]
_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
[
  Ca  Ca0  4  0.0000  0.0000  0.2004  1.0
  Ca  Ca1  4  0.0000  0.0000  0.4001  1.0
  Nd  Nd2  2  0.0000  0.0000  0.0000  1.0
  Te  Te3  4  0.0000  0.0000  0.1003  1.0
  Te  Te4  4  0.0000  0.0000  0.3003  1.0
  Te  Te5  2  0.0000  0.0000  0.5000  1.0
]