# generated using pymatgen
data_Li2CaN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48294761
_cell_length_b   3.48294761
_cell_length_c   5.76985700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999263
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CaN2
_chemical_formula_sum   'Li2 Ca1 N2'
_cell_volume   60.61632434
_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  0.66666700  0.33333300  0.88406800  1
  Li  Li1  1  0.33333300  0.66666700  0.11593200  1
  Ca  Ca2  1  0.00000000  0.00000000  0.50000000  1
  N  N3  1  0.66666700  0.33333300  0.24435100  1
  N  N4  1  0.33333300  0.66666700  0.75564900  1
