# generated using pymatgen
data_LiCa(Nb2N3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35076513
_cell_length_b   5.35076525
_cell_length_c   10.60897515
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999923
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCa(Nb2N3)2
_chemical_formula_sum   'Li2 Ca2 Nb8 N12'
_cell_volume   263.04851455
_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
  Li  Li0  1  0.33333300  0.66666700  0.00000000  1.0
  Li  Li1  1  0.33333300  0.66666700  0.50000000  1.0
  Ca  Ca2  1  0.66666700  0.33333300  0.50000000  1.0
  Ca  Ca3  1  0.66666700  0.33333300  0.00000000  1.0
  Nb  Nb4  1  0.00207340  0.34661863  0.25000000  1.0
  Nb  Nb5  1  0.65338137  0.99792660  0.75000000  1.0
  Nb  Nb6  1  0.34454523  0.34661863  0.75000000  1.0
  Nb  Nb7  1  0.00000000  0.00000000  0.50000000  1.0
  Nb  Nb8  1  0.00000000  0.00000000  0.00000000  1.0
  Nb  Nb9  1  0.65338137  0.65545477  0.25000000  1.0
  Nb  Nb10  1  0.34454523  0.99792660  0.25000000  1.0
  Nb  Nb11  1  0.00207340  0.65545477  0.75000000  1.0
  N  N12  1  0.67819154  0.68780446  0.62660934  1.0
  N  N13  1  0.67819154  0.68780446  0.87339066  1.0
  N  N14  1  0.31219554  0.32180846  0.12660934  1.0
  N  N15  1  0.31219554  0.32180846  0.37339066  1.0
  N  N16  1  0.31219554  0.99038708  0.87339066  1.0
  N  N17  1  0.31219554  0.99038708  0.62660934  1.0
  N  N18  1  0.00961292  0.68780446  0.37339066  1.0
  N  N19  1  0.00961292  0.68780446  0.12660934  1.0
  N  N20  1  0.67819154  0.99038708  0.12660934  1.0
  N  N21  1  0.67819154  0.99038708  0.37339066  1.0
  N  N22  1  0.00961292  0.32180846  0.87339066  1.0
  N  N23  1  0.00961292  0.32180846  0.62660934  1.0