data_[Tm12Os4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Os  2.2000  1.3000  0.6730
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0435]
_cell_length_b [4.9098]
_cell_length_c [8.0511]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7230]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm3OsC]
_chemical_formula_sum '[Tm12 Os4 C4]'
_cell_volume [402.6602]
_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
[
  Tm  Tm0  4  0.1017  0.0000  0.2191  1.0
  Tm  Tm1  4  0.1302  0.5000  0.9052  1.0
  Tm  Tm2  4  0.1599  0.0000  0.6494  1.0
  Os  Os3  4  0.0986  0.5000  0.4623  1.0
  C  C4  4  0.1346  0.0000  0.9416  1.0
]