# generated using pymatgen
data_LiCaAlN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89955200
_cell_length_b   5.79045100
_cell_length_c   5.82857286
_cell_angle_alpha   89.73602006
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCaAlN2
_chemical_formula_sum   'Li4 Ca4 Al4 N8'
_cell_volume   232.85786084
_cell_formula_units_Z   4
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  0.59831300  0.63189400  0.90843000  1
  Li  Li1  1  0.09831300  0.36810600  0.59157000  1
  Li  Li2  1  0.40168700  0.36810600  0.09157000  1
  Li  Li3  1  0.90168700  0.63189400  0.40843000  1
  Ca  Ca4  1  0.87178900  0.97261700  0.74101600  1
  Ca  Ca5  1  0.37178900  0.02738300  0.75898400  1
  Ca  Ca6  1  0.12821100  0.02738300  0.25898400  1
  Ca  Ca7  1  0.62821100  0.97261700  0.24101600  1
  Al  Al8  1  0.63975700  0.37918100  0.57328300  1
  Al  Al9  1  0.13975700  0.62081900  0.92671700  1
  Al  Al10  1  0.36024300  0.62081900  0.42671700  1
  Al  Al11  1  0.86024300  0.37918100  0.07328300  1
  N  N12  1  0.14704800  0.73222900  0.60706300  1
  N  N13  1  0.64704800  0.26777100  0.89293700  1
  N  N14  1  0.85295200  0.26777100  0.39293700  1
  N  N15  1  0.35295200  0.73222900  0.10706300  1
  N  N16  1  0.60662000  0.71198700  0.56497100  1
  N  N17  1  0.10662000  0.28801300  0.93502900  1
  N  N18  1  0.39338000  0.28801300  0.43502900  1
  N  N19  1  0.89338000  0.71198700  0.06497100  1
