data_[Li4Ho4Ni4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ho  1.2300  1.7500  1.0410
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.1835]
_cell_length_b [4.1274]
_cell_length_c [11.8740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LiHoNiTe3]
_chemical_formula_sum '[Li4 Ho4 Ni4 Te12]'
_cell_volume [597.0952]
_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
[
  Li  Li0  4  0.2327  0.2500  0.5560  1
  Ho  Ho1  4  0.0527  0.2500  0.8003  1
  Ni  Ni2  4  0.2442  0.7500  0.7268  1
  Te  Te3  4  0.0717  0.7500  0.6132  1
  Te  Te4  4  0.0967  0.2500  0.0781  1
  Te  Te5  4  0.1904  0.7500  0.3253  1
]