# generated using pymatgen
data_Li2Ca5N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.93095000
_cell_length_b   7.93095000
_cell_length_c   13.05841400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Ca5N4
_chemical_formula_sum   'Li8 Ca20 N16'
_cell_volume   821.37382146
_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  0.09746700  0.90253300  0.25000000  1
  Li  Li1  1  0.40253300  0.90253300  0.75000000  1
  Li  Li2  1  0.09746700  0.59746700  0.75000000  1
  Li  Li3  1  0.40253300  0.59746700  0.25000000  1
  Li  Li4  1  0.90253300  0.09746700  0.75000000  1
  Li  Li5  1  0.59746700  0.09746700  0.25000000  1
  Li  Li6  1  0.90253300  0.40253300  0.25000000  1
  Li  Li7  1  0.59746700  0.40253300  0.75000000  1
  Ca  Ca8  1  0.75000000  0.75000000  0.37381700  1
  Ca  Ca9  1  0.75000000  0.75000000  0.87381700  1
  Ca  Ca10  1  0.25000000  0.25000000  0.62618300  1
  Ca  Ca11  1  0.25000000  0.25000000  0.12618300  1
  Ca  Ca12  1  0.13231800  0.57803600  0.41522500  1
  Ca  Ca13  1  0.36768200  0.57803600  0.91522500  1
  Ca  Ca14  1  0.13231800  0.92196400  0.91522500  1
  Ca  Ca15  1  0.36768200  0.92196400  0.41522500  1
  Ca  Ca16  1  0.57803600  0.13231800  0.91522500  1
  Ca  Ca17  1  0.92196400  0.13231800  0.41522500  1
  Ca  Ca18  1  0.57803600  0.36768200  0.41522500  1
  Ca  Ca19  1  0.92196400  0.36768200  0.91522500  1
  Ca  Ca20  1  0.86768200  0.42196400  0.58477500  1
  Ca  Ca21  1  0.63231800  0.42196400  0.08477500  1
  Ca  Ca22  1  0.86768200  0.07803600  0.08477500  1
  Ca  Ca23  1  0.63231800  0.07803600  0.58477500  1
  Ca  Ca24  1  0.42196400  0.86768200  0.08477500  1
  Ca  Ca25  1  0.07803600  0.86768200  0.58477500  1
  Ca  Ca26  1  0.42196400  0.63231800  0.58477500  1
  Ca  Ca27  1  0.07803600  0.63231800  0.08477500  1
  N  N28  1  0.63517400  0.05327900  0.39421500  1
  N  N29  1  0.86482600  0.05327900  0.89421500  1
  N  N30  1  0.63517400  0.44672100  0.89421500  1
  N  N31  1  0.86482600  0.44672100  0.39421500  1
  N  N32  1  0.05327900  0.63517400  0.89421500  1
  N  N33  1  0.44672100  0.63517400  0.39421500  1
  N  N34  1  0.05327900  0.86482600  0.39421500  1
  N  N35  1  0.44672100  0.86482600  0.89421500  1
  N  N36  1  0.36482600  0.94672100  0.60578500  1
  N  N37  1  0.13517400  0.94672100  0.10578500  1
  N  N38  1  0.36482600  0.55327900  0.10578500  1
  N  N39  1  0.13517400  0.55327900  0.60578500  1
  N  N40  1  0.94672100  0.36482600  0.10578500  1
  N  N41  1  0.55327900  0.36482600  0.60578500  1
  N  N42  1  0.94672100  0.13517400  0.60578500  1
  N  N43  1  0.55327900  0.13517400  0.10578500  1
