data_[Nd4Ho12Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ho  1.2300  1.7500  1.0410
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5299]
_cell_length_b [4.1394]
_cell_length_c [11.3701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3555]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdHo3Te2]
_chemical_formula_sum '[Nd4 Ho12 Te8]'
_cell_volume [734.0065]
_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
[
  Nd  Nd0  4  0.1191  0.0000  0.0428  1.0
  Ho  Ho1  4  0.0607  0.0000  0.4053  1.0
  Ho  Ho2  4  0.1230  0.5000  0.6661  1.0
  Ho  Ho3  4  0.2168  0.5000  0.3779  1.0
  Te  Te4  4  0.0172  0.5000  0.1732  1.0
  Te  Te5  4  0.2290  0.0000  0.8551  1.0
]