data_[Ho4Th2Tc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Th  1.3000  1.8000  1.0800
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.6583]
_cell_length_b [4.1527]
_cell_length_c [11.0888]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.1267]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ho2ThTc2]
_chemical_formula_sum '[Ho4 Th2 Tc4]'
_cell_volume [259.5155]
_cell_formula_units_Z [2]
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  2  0.0866  0.2500  0.8808  1
  Ho  Ho1  2  0.2466  0.2500  0.5342  1
  Th  Th2  2  0.4129  0.2500  0.2348  1
  Tc  Tc3  2  0.2357  0.7500  0.3483  1
  Tc  Tc4  2  0.4197  0.7500  0.0402  1
]