# generated using pymatgen
data_ThMnOs2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99497246
_cell_length_b   5.91192350
_cell_length_c   7.32953426
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   70.25257967
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThMnOs2C
_chemical_formula_sum   'Th2 Mn2 Os4 C2'
_cell_volume   162.92841985
_cell_formula_units_Z   2
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  1  0.95190402  0.09619195  0.25000100  1.0
  Th  Th1  1  0.04809698  0.90380905  0.75000000  1.0
  Mn  Mn2  1  0.22485269  0.55029662  0.25000100  1.0
  Mn  Mn3  1  0.77514831  0.44970238  0.75000000  1.0
  Os  Os4  1  0.66634814  0.66730272  0.05633737  1.0
  Os  Os5  1  0.66634814  0.66730272  0.44366263  1.0
  Os  Os6  1  0.33365286  0.33269728  0.55633737  1.0
  Os  Os7  1  0.33365286  0.33269728  0.94366363  1.0
  C  C8  1  0.50000100  0.00000000  0.00000000  1.0
  C  C9  1  0.50000100  0.00000000  0.50000000  1.0