# generated using pymatgen
data_Cs2Ca5N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.93278416
_cell_length_b   7.93278416
_cell_length_c   17.83193603
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs2Ca5N4
_chemical_formula_sum   'Cs8 Ca20 N16'
_cell_volume   1122.14705311
_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
  Cs  Cs0  1  0.03424280  0.96575720  0.25000000  1.0
  Cs  Cs1  1  0.46575720  0.96575720  0.75000000  1.0
  Cs  Cs2  1  0.03424280  0.53424280  0.75000000  1.0
  Cs  Cs3  1  0.46575720  0.53424280  0.25000000  1.0
  Cs  Cs4  1  0.96575720  0.03424280  0.75000000  1.0
  Cs  Cs5  1  0.53424280  0.03424280  0.25000000  1.0
  Cs  Cs6  1  0.96575720  0.46575720  0.25000000  1.0
  Cs  Cs7  1  0.53424280  0.46575720  0.75000000  1.0
  Ca  Ca8  1  0.75000000  0.75000000  0.41886866  1.0
  Ca  Ca9  1  0.75000000  0.75000000  0.91886866  1.0
  Ca  Ca10  1  0.25000000  0.25000000  0.58113134  1.0
  Ca  Ca11  1  0.25000000  0.25000000  0.08113134  1.0
  Ca  Ca12  1  0.13481934  0.57957705  0.43746157  1.0
  Ca  Ca13  1  0.36518066  0.57957705  0.93746157  1.0
  Ca  Ca14  1  0.13481934  0.92042295  0.93746157  1.0
  Ca  Ca15  1  0.36518066  0.92042295  0.43746157  1.0
  Ca  Ca16  1  0.57957705  0.13481934  0.93746157  1.0
  Ca  Ca17  1  0.92042295  0.13481934  0.43746157  1.0
  Ca  Ca18  1  0.57957705  0.36518066  0.43746157  1.0
  Ca  Ca19  1  0.92042295  0.36518066  0.93746157  1.0
  Ca  Ca20  1  0.86518066  0.42042295  0.56253843  1.0
  Ca  Ca21  1  0.63481934  0.42042295  0.06253843  1.0
  Ca  Ca22  1  0.86518066  0.07957705  0.06253843  1.0
  Ca  Ca23  1  0.63481934  0.07957705  0.56253843  1.0
  Ca  Ca24  1  0.42042295  0.86518066  0.06253843  1.0
  Ca  Ca25  1  0.07957705  0.86518066  0.56253843  1.0
  Ca  Ca26  1  0.42042295  0.63481934  0.56253843  1.0
  Ca  Ca27  1  0.07957705  0.63481934  0.06253843  1.0
  N  N28  1  0.63495534  0.05184226  0.42193047  1.0
  N  N29  1  0.86504466  0.05184226  0.92193047  1.0
  N  N30  1  0.63495534  0.44815774  0.92193047  1.0
  N  N31  1  0.86504466  0.44815774  0.42193047  1.0
  N  N32  1  0.05184226  0.63495534  0.92193047  1.0
  N  N33  1  0.44815774  0.63495534  0.42193047  1.0
  N  N34  1  0.05184226  0.86504466  0.42193047  1.0
  N  N35  1  0.44815774  0.86504466  0.92193047  1.0
  N  N36  1  0.36504466  0.94815774  0.57806953  1.0
  N  N37  1  0.13495534  0.94815774  0.07806953  1.0
  N  N38  1  0.36504466  0.55184226  0.07806953  1.0
  N  N39  1  0.13495534  0.55184226  0.57806953  1.0
  N  N40  1  0.94815774  0.36504466  0.07806953  1.0
  N  N41  1  0.55184226  0.36504466  0.57806953  1.0
  N  N42  1  0.94815774  0.13495534  0.57806953  1.0
  N  N43  1  0.55184226  0.13495534  0.07806953  1.0