# generated using pymatgen
data_ThNi2B2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68968800
_cell_length_b   3.68968800
_cell_length_c   5.70799467
_cell_angle_alpha   108.85677159
_cell_angle_beta   108.85677159
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThNi2B2C
_chemical_formula_sum   'Th1 Ni2 B2 C1'
_cell_volume   69.11507189
_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  1  0.50000000  0.50000000  0.00000000  1.0
  Ni  Ni1  1  0.25000000  0.75000000  0.50000000  1.0
  Ni  Ni2  1  0.75000000  0.25000000  0.50000000  1.0
  B  B3  1  0.14862700  0.14862700  0.29725400  1.0
  B  B4  1  0.85137300  0.85137300  0.70274600  1.0
  C  C5  1  0.00000000  0.00000000  0.00000000  1.0