data_[Sr4Nd4Cu4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [C2/m]
_cell_length_a [20.2108]
_cell_length_b [4.4489]
_cell_length_c [8.8122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8216]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrNdCuTe3]
_chemical_formula_sum '[Sr4 Nd4 Cu4 Te12]'
_cell_volume [772.5965]
_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
[
  Sr  Sr0  4  0.1208  0.0000  0.0691  1
  Nd  Nd1  4  0.1614  0.0000  0.5868  1
  Cu  Cu2  4  0.0454  0.5000  0.7078  1
  Te  Te3  4  0.1754  0.5000  0.3454  1
  Te  Te4  4  0.1757  0.5000  0.8420  1
  Te  Te5  2  0.0000  0.0000  0.5000  1
  Te  Te6  2  0.0000  0.5000  0.0000  1
]