data_[Th4Tc1Ge1Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Tc  1.9000  1.3500  0.7417
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5665]
_cell_length_b [4.2442]
_cell_length_c [7.8596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5133]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Th4TcGeTe2]
_chemical_formula_sum '[Th4 Tc1 Ge1 Te2]'
_cell_volume [240.7013]
_cell_formula_units_Z [1]
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  2  0.2545  0.5000  0.2091  1
  Th  Th1  2  0.2790  0.0000  0.7961  1
  Tc  Tc2  1  0.5000  0.5000  0.0000  1
  Ge  Ge3  1  0.0000  0.0000  0.0000  1
  Te  Te4  1  0.0000  0.5000  0.5000  1
  Te  Te5  1  0.5000  0.0000  0.5000  1
]