# generated using pymatgen
data_Li6CaPu2N6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97384136
_cell_length_b   5.97384113
_cell_length_c   5.44101735
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999582
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6CaPu2N6
_chemical_formula_sum   'Li6 Ca1 Pu2 N6'
_cell_volume   168.15822533
_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
  Li  Li0  1  0.99049713  0.66320965  0.60762214  1.0
  Li  Li1  1  0.33679035  0.32728748  0.60762214  1.0
  Li  Li2  1  0.67271252  0.00950287  0.60762214  1.0
  Li  Li3  1  0.00950287  0.33679035  0.39237786  1.0
  Li  Li4  1  0.66320965  0.67271252  0.39237786  1.0
  Li  Li5  1  0.32728748  0.99049713  0.39237786  1.0
  Ca  Ca6  1  0.00000000  0.00000000  0.00000000  1.0
  Pu  Pu7  1  0.33333300  0.66666700  0.99648897  1.0
  Pu  Pu8  1  0.66666700  0.33333300  0.00351103  1.0
  N  N9  1  0.00168148  0.64038853  0.22745038  1.0
  N  N10  1  0.35961147  0.36129295  0.22745038  1.0
  N  N11  1  0.63870705  0.99831852  0.22745038  1.0
  N  N12  1  0.99831852  0.35961147  0.77254962  1.0
  N  N13  1  0.64038853  0.63870705  0.77254962  1.0
  N  N14  1  0.36129295  0.00168148  0.77254962  1.0