data_[Re4Tc12C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Tc  1.9000  1.3500  0.7417
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.8993]
_cell_length_b [4.1232]
_cell_length_c [7.8847]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9834]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ReTc3C]
_chemical_formula_sum '[Re4 Tc12 C4]'
_cell_volume [260.0762]
_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
[
  Tc  Tc0  4  0.1174  0.5000  0.9256  1
  Re  Re1  4  0.1240  0.5000  0.4389  1
  Tc  Tc2  4  0.1252  0.0000  0.6732  1
  Tc  Tc3  4  0.1327  0.0000  0.2089  1
  C  C4  4  0.1224  0.0000  0.9345  1
]