data_[La4Tc4Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tc  1.9000  1.3500  0.7417
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9455]
_cell_length_b [5.9529]
_cell_length_c [7.5988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5255]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaTcGe]
_chemical_formula_sum '[La4 Tc4 Ge4]'
_cell_volume [268.6838]
_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
[
  La  La0  4  0.2474  0.5000  0.3308  1
  Tc  Tc1  4  0.0000  0.2891  0.0000  1
  Ge  Ge2  4  0.2284  0.0000  0.2022  1
]