data_[Y4Th8Tc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Th  1.3000  1.8000  1.0800
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.3221]
_cell_length_b [9.7636]
_cell_length_c [6.3113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [YTh2Tc]
_chemical_formula_sum '[Y4 Th8 Tc4]'
_cell_volume [451.1955]
_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
[
  Y  Y0  4  0.0406  0.2500  0.8567  1
  Th  Th1  8  0.1700  0.0631  0.3324  1
  Tc  Tc2  4  0.1125  0.7500  0.5977  1
]