data_[Li4Cr4Tc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cr  1.6600  1.4000  0.9400
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.6730]
_cell_length_b [4.2581]
_cell_length_c [4.9061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.6095]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiCrTc]
_chemical_formula_sum '[Li4 Cr4 Tc4]'
_cell_volume [152.6221]
_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
[
  Li  Li0  2  0.0000  0.0000  0.0000  1
  Li  Li1  2  0.0000  0.0000  0.5000  1
  Cr  Cr2  4  0.1677  0.5000  0.3572  1
  Tc  Tc3  4  0.1642  0.5000  0.8406  1
]