data_[Th4In4Tc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  In  1.7800  1.5500  0.9400
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0333]
_cell_length_b [17.9467]
_cell_length_c [3.9708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [ThInTc]
_chemical_formula_sum '[Th4 In4 Tc4]'
_cell_volume [287.4271]
_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
[
  Th  Th0  4  0.0000  0.0893  0.7500  1
  In  In1  4  0.0000  0.2888  0.7500  1
  Tc  Tc2  4  0.0000  0.4452  0.7500  1
]