data_[Tc4Mo8Os12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Mo  2.1600  1.4500  0.7750
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3232]
_cell_length_b [13.5492]
_cell_length_c [4.8584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.1812]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TcMo2Os3]
_chemical_formula_sum '[Tc4 Mo8 Os12]'
_cell_volume [368.3015]
_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  0.2286  0.0000  0.9962  1
  Mo  Mo1  4  0.0000  0.1494  0.5000  1
  Mo  Mo2  4  0.0000  0.3512  0.0000  1
  Os  Os3  8  0.2492  0.3169  0.7475  1
  Os  Os4  4  0.2331  0.5000  0.4873  1
]