# generated using pymatgen
data_Li4Ca3(SiN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67935697
_cell_length_b   5.67935697
_cell_length_c   5.99877452
_cell_angle_alpha   89.74945685
_cell_angle_beta   89.74945685
_cell_angle_gamma   118.36415611
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Ca3(SiN3)2
_chemical_formula_sum   'Li4 Ca3 Si2 N6'
_cell_volume   170.25545926
_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  0.31493300  0.96397200  0.12629200  1
  Li  Li1  1  0.96397200  0.31493300  0.12629200  1
  Li  Li2  1  0.68506700  0.03602800  0.87370800  1
  Li  Li3  1  0.03602800  0.68506700  0.87370800  1
  Ca  Ca4  1  0.31521700  0.68478300  0.50000000  1
  Ca  Ca5  1  0.68478300  0.31521700  0.50000000  1
  Ca  Ca6  1  0.50000000  0.50000000  0.00000000  1
  Si  Si7  1  0.11896200  0.11896200  0.66923500  1
  Si  Si8  1  0.88103800  0.88103800  0.33076500  1
  N  N9  1  0.93375200  0.63513700  0.20924400  1
  N  N10  1  0.19250600  0.19250600  0.36706900  1
  N  N11  1  0.80749400  0.80749400  0.63293100  1
  N  N12  1  0.06624800  0.36486300  0.79075600  1
  N  N13  1  0.36486300  0.06624800  0.79075600  1
  N  N14  1  0.63513700  0.93375200  0.20924400  1
