data_[Th4Te2Os1C1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Te  2.1000  1.4000  1.2933
  Os  2.2000  1.3000  0.6730
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1685]
_cell_length_b [4.0544]
_cell_length_c [7.8738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3972]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Th4Te2OsC]
_chemical_formula_sum '[Th4 Te2 Os1 C1]'
_cell_volume [218.3755]
_cell_formula_units_Z [1]
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
[
  Th  Th0  2  0.2415  0.5000  0.1963  1
  Th  Th1  2  0.2849  0.0000  0.8087  1
  Te  Te2  1  0.0000  0.5000  0.5000  1
  Te  Te3  1  0.5000  0.0000  0.5000  1
  Os  Os4  1  0.0000  0.0000  0.0000  1
  C  C5  1  0.5000  0.5000  0.0000  1
]