# generated using pymatgen
data_LiCa3Si2N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.58130456
_cell_length_b   10.58130456
_cell_length_c   10.42045936
_cell_angle_alpha   89.74132836
_cell_angle_beta   89.74132836
_cell_angle_gamma   151.65282613
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCa3Si2N5
_chemical_formula_sum   'Li4 Ca12 Si8 N20'
_cell_volume   553.87791009
_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  0.84507100  0.15492900  0.25000000  1
  Li  Li1  1  0.15492900  0.84507100  0.75000000  1
  Li  Li2  1  0.37220900  0.62779100  0.25000000  1
  Li  Li3  1  0.62779100  0.37220900  0.75000000  1
  Ca  Ca4  1  0.96879700  0.53869300  0.14560300  1
  Ca  Ca5  1  0.46130700  0.03120300  0.35439700  1
  Ca  Ca6  1  0.03120300  0.46130700  0.85439700  1
  Ca  Ca7  1  0.53869300  0.96879700  0.64560300  1
  Ca  Ca8  1  0.83673300  0.65734600  0.35537400  1
  Ca  Ca9  1  0.34265400  0.16326700  0.14462600  1
  Ca  Ca10  1  0.16326700  0.34265400  0.64462600  1
  Ca  Ca11  1  0.65734600  0.83673300  0.85537400  1
  Ca  Ca12  1  0.23023600  0.26829700  0.36790600  1
  Ca  Ca13  1  0.73170300  0.76976400  0.13209400  1
  Ca  Ca14  1  0.76976400  0.73170300  0.63209400  1
  Ca  Ca15  1  0.26829700  0.23023600  0.86790600  1
  Si  Si16  1  0.90139600  0.69194600  0.96205100  1
  Si  Si17  1  0.30805400  0.09860400  0.53794900  1
  Si  Si18  1  0.09860400  0.30805400  0.03794900  1
  Si  Si19  1  0.69194600  0.90139600  0.46205100  1
  Si  Si20  1  0.49393500  0.88686300  0.04762900  1
  Si  Si21  1  0.11313700  0.50606500  0.45237100  1
  Si  Si22  1  0.50606500  0.11313700  0.95237100  1
  Si  Si23  1  0.88686300  0.49393500  0.54762900  1
  N  N24  1  0.95408000  0.50190700  0.38346600  1
  N  N25  1  0.49809300  0.04592000  0.11653400  1
  N  N26  1  0.04592000  0.49809300  0.61653400  1
  N  N27  1  0.50190700  0.95408000  0.88346600  1
  N  N28  1  0.25433400  0.99831300  0.92316400  1
  N  N29  1  0.00168700  0.74566600  0.57683600  1
  N  N30  1  0.74566600  0.00168700  0.07683600  1
  N  N31  1  0.99831300  0.25433400  0.42316400  1
  N  N32  1  0.23380300  0.29994200  0.12275100  1
  N  N33  1  0.70005800  0.76619700  0.37724900  1
  N  N34  1  0.76619700  0.70005800  0.87724900  1
  N  N35  1  0.29994200  0.23380300  0.62275100  1
  N  N36  1  0.86211100  0.66665200  0.13022700  1
  N  N37  1  0.33334800  0.13788900  0.36977300  1
  N  N38  1  0.13788900  0.33334800  0.86977300  1
  N  N39  1  0.66665200  0.86211100  0.63022700  1
  N  N40  1  0.19548100  0.54815900  0.08789200  1
  N  N41  1  0.45184100  0.80451900  0.41210800  1
  N  N42  1  0.80451900  0.45184100  0.91210800  1
  N  N43  1  0.54815900  0.19548100  0.58789200  1
