# generated using pymatgen
data_ThCoRe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66738433
_cell_length_b   5.66738576
_cell_length_c   7.67728749
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   139.97689740
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThCoRe2C
_chemical_formula_sum   'Th2 Co2 Re4 C2'
_cell_volume   158.58034107
_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  0.53221116  0.46778884  0.25000000  1.0
  Th  Th1  1  0.46778884  0.53221116  0.75000000  1.0
  Co  Co2  1  0.25894959  0.74105041  0.25000000  1.0
  Co  Co3  1  0.74105041  0.25894959  0.75000000  1.0
  Re  Re4  1  0.82053110  0.17946890  0.06198548  1.0
  Re  Re5  1  0.17946890  0.82053110  0.93801452  1.0
  Re  Re6  1  0.17946890  0.82053110  0.56198548  1.0
  Re  Re7  1  0.82053110  0.17946890  0.43801452  1.0
  C  C8  1  0.00000000  0.00000000  0.00000000  1.0
  C  C9  1  0.00000000  0.00000000  0.50000000  1.0