# generated using pymatgen
data_Ca4PbN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.96046500
_cell_length_b   3.59647000
_cell_length_c   16.13300000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4PbN4
_chemical_formula_sum   'Ca16 Pb4 N16'
_cell_volume   693.96831226
_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
  Ca  Ca0  1  0.13003800  0.25000000  0.20607900  1.0
  Ca  Ca1  1  0.63003800  0.25000000  0.29392100  1.0
  Ca  Ca2  1  0.86996200  0.75000000  0.79392100  1.0
  Ca  Ca3  1  0.36996200  0.75000000  0.70607900  1.0
  Ca  Ca4  1  0.90201800  0.25000000  0.07114600  1.0
  Ca  Ca5  1  0.40201800  0.25000000  0.42885400  1.0
  Ca  Ca6  1  0.09798200  0.75000000  0.92885400  1.0
  Ca  Ca7  1  0.59798200  0.75000000  0.57114600  1.0
  Ca  Ca8  1  0.36067800  0.25000000  0.86924500  1.0
  Ca  Ca9  1  0.86067800  0.25000000  0.63075500  1.0
  Ca  Ca10  1  0.63932200  0.75000000  0.13075500  1.0
  Ca  Ca11  1  0.13932200  0.75000000  0.36924500  1.0
  Ca  Ca12  1  0.11427900  0.25000000  0.75048300  1.0
  Ca  Ca13  1  0.61427900  0.25000000  0.74951700  1.0
  Ca  Ca14  1  0.88572100  0.75000000  0.24951700  1.0
  Ca  Ca15  1  0.38572100  0.75000000  0.25048300  1.0
  Pb  Pb16  1  0.40365100  0.25000000  0.06871900  1.0
  Pb  Pb17  1  0.90365100  0.25000000  0.43128100  1.0
  Pb  Pb18  1  0.59634900  0.75000000  0.93128100  1.0
  Pb  Pb19  1  0.09634900  0.75000000  0.56871900  1.0
  N  N20  1  0.76647200  0.25000000  0.18424400  1.0
  N  N21  1  0.26647200  0.25000000  0.31575600  1.0
  N  N22  1  0.23352800  0.75000000  0.81575600  1.0
  N  N23  1  0.73352800  0.75000000  0.68424400  1.0
  N  N24  1  0.98146500  0.25000000  0.86165400  1.0
  N  N25  1  0.48146500  0.25000000  0.63834600  1.0
  N  N26  1  0.01853500  0.75000000  0.13834600  1.0
  N  N27  1  0.51853500  0.75000000  0.36165400  1.0
  N  N28  1  0.94656600  0.25000000  0.93634700  1.0
  N  N29  1  0.44656600  0.25000000  0.56365300  1.0
  N  N30  1  0.05343400  0.75000000  0.06365300  1.0
  N  N31  1  0.55343400  0.75000000  0.43634700  1.0
  N  N32  1  0.00594200  0.25000000  0.31607400  1.0
  N  N33  1  0.50594200  0.25000000  0.18392600  1.0
  N  N34  1  0.99405800  0.75000000  0.68392600  1.0
  N  N35  1  0.49405800  0.75000000  0.81607400  1.0