data_[Ho4Th4Ta4]
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
  Ta  1.5000  1.4500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6256]
_cell_length_b [4.8266]
_cell_length_c [5.9995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9815]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HoThTa]
_chemical_formula_sum '[Ho4 Th4 Ta4]'
_cell_volume [336.5968]
_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
[
  Ho  Ho0  4  0.0749  0.5000  0.7589  1
  Th  Th1  4  0.1347  0.0000  0.3495  1
  Ta  Ta2  4  0.2394  0.0000  0.8726  1
]