data_[Ho6Tc6Ge6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Tc  1.9000  1.3500  0.7417
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [12.9412]
_cell_length_b [3.6479]
_cell_length_c [7.1832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [HoTcGe]
_chemical_formula_sum '[Ho6 Tc6 Ge6]'
_cell_volume [339.1064]
_cell_formula_units_Z [6]
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
[
  Ho  Ho0  4  0.0479  0.0000  0.7262  1
  Ho  Ho1  2  0.2500  0.0000  0.1616  1
  Tc  Tc2  4  0.1285  0.5000  0.4203  1
  Tc  Tc3  2  0.2500  0.5000  0.8067  1
  Ge  Ge4  4  0.0950  0.5000  0.0551  1
  Ge  Ge5  2  0.2500  0.0000  0.5575  1
]