# generated using pymatgen
data_LiCa2FeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34630200
_cell_length_b   5.34630200
_cell_length_c   6.70142700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCa2FeN2
_chemical_formula_sum   'Li2 Ca4 Fe2 N4'
_cell_volume   191.54651987
_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  0.00000000  0.00000000  0.50000000  1
  Li  Li1  1  0.50000000  0.50000000  0.00000000  1
  Ca  Ca2  1  0.00000000  0.50000000  0.25000000  1
  Ca  Ca3  1  0.00000000  0.50000000  0.75000000  1
  Ca  Ca4  1  0.50000000  0.00000000  0.25000000  1
  Ca  Ca5  1  0.50000000  0.00000000  0.75000000  1
  Fe  Fe6  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe7  1  0.50000000  0.50000000  0.50000000  1
  N  N8  1  0.24149000  0.24149000  0.00000000  1
  N  N9  1  0.75851000  0.75851000  0.00000000  1
  N  N10  1  0.25851000  0.74149000  0.50000000  1
  N  N11  1  0.74149000  0.25851000  0.50000000  1
