data_[Ca4Nd4Cu4Te12]
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
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [14.3750]
_cell_length_b [4.2861]
_cell_length_c [11.9273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CaNdCuTe3]
_chemical_formula_sum '[Ca4 Nd4 Cu4 Te12]'
_cell_volume [734.8779]
_cell_formula_units_Z [4]
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  0.2105  0.2500  0.5486  1
  Nd  Nd1  4  0.0084  0.2500  0.8262  1
  Cu  Cu2  4  0.0056  0.7500  0.5811  1
  Te  Te3  4  0.1099  0.7500  0.3914  1
  Te  Te4  4  0.1226  0.2500  0.0576  1
  Te  Te5  4  0.1450  0.7500  0.7323  1
]