# generated using pymatgen
data_LiCaMgSiN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68208005
_cell_length_b   5.68208005
_cell_length_c   6.03614599
_cell_angle_alpha   86.44217211
_cell_angle_beta   86.44217211
_cell_angle_gamma   121.08631949
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCaMgSiN3
_chemical_formula_sum   'Li2 Ca2 Mg2 Si2 N6'
_cell_volume   165.56197010
_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  0.67492500  0.67492500  0.09325700  1
  Li  Li1  1  0.32507500  0.32507500  0.90674300  1
  Ca  Ca2  1  0.67963000  0.32037000  0.50000000  1
  Ca  Ca3  1  0.32037000  0.67963000  0.50000000  1
  Mg  Mg4  1  0.76633400  0.23366600  0.00000000  1
  Mg  Mg5  1  0.23366600  0.76633400  0.00000000  1
  Si  Si6  1  0.13038900  0.13038900  0.32133900  1
  Si  Si7  1  0.86961100  0.86961100  0.67866100  1
  N  N8  1  0.80836500  0.80836500  0.39012900  1
  N  N9  1  0.19163500  0.19163500  0.60987100  1
  N  N10  1  0.89755800  0.60700500  0.80985500  1
  N  N11  1  0.60700500  0.89755800  0.80985500  1
  N  N12  1  0.10244200  0.39299500  0.19014500  1
  N  N13  1  0.39299500  0.10244200  0.19014500  1
