# generated using pymatgen
data_ThCoNiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21284384
_cell_length_b   4.21284384
_cell_length_c   9.19967537
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThCoNiAs2
_chemical_formula_sum   'Th2 Co2 Ni2 As4'
_cell_volume   163.27632841
_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  0.00000000  0.50000000  0.24728755  1.0
  Th  Th1  1  0.50000000  0.00000000  0.75271245  1.0
  Co  Co2  1  0.00000000  0.50000000  0.61079086  1.0
  Co  Co3  1  0.50000000  0.00000000  0.38920914  1.0
  Ni  Ni4  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni5  1  0.50000000  0.50000000  0.00000000  1.0
  As  As6  1  0.00000000  0.00000000  0.50000000  1.0
  As  As7  1  0.50000000  0.50000000  0.50000000  1.0
  As  As8  1  0.00000000  0.50000000  0.86679786  1.0
  As  As9  1  0.50000000  0.00000000  0.13320214  1.0