# generated using pymatgen
data_Ba14Na21CaN6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.42119100
_cell_length_b   12.42119100
_cell_length_c   16.26411257
_cell_angle_alpha   56.73110950
_cell_angle_beta   56.73110950
_cell_angle_gamma   60.91037128
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba14Na21CaN6
_chemical_formula_sum   'Ba14 Na21 Ca1 N6'
_cell_volume   1691.48682785
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.77889800  0.20426900  0.72721200  1.0
  Ba  Ba1  1  0.79573100  0.22110200  0.27278800  1.0
  Ba  Ba2  1  0.22110200  0.79573100  0.27278800  1.0
  Ba  Ba3  1  0.59650700  0.17016200  0.59359500  1.0
  Ba  Ba4  1  0.40349300  0.82983800  0.40640500  1.0
  Ba  Ba5  1  0.37217400  0.37217400  0.76673100  1.0
  Ba  Ba6  1  0.17016200  0.59650700  0.59359500  1.0
  Ba  Ba7  1  0.20426900  0.77889800  0.72721200  1.0
  Ba  Ba8  1  0.39827500  0.39827500  0.41107700  1.0
  Ba  Ba9  1  0.60172500  0.60172500  0.58892300  1.0
  Ba  Ba10  1  0.80815000  0.80815000  0.26833200  1.0
  Ba  Ba11  1  0.62782600  0.62782600  0.23326900  1.0
  Ba  Ba12  1  0.19185000  0.19185000  0.73166800  1.0
  Ba  Ba13  1  0.82983800  0.40349300  0.40640500  1.0
  Na  Na14  1  0.50066900  0.20324700  0.21958000  1.0
  Na  Na15  1  0.17586600  0.17586600  0.47832400  1.0
  Na  Na16  1  0.19443000  0.19443000  0.21062400  1.0
  Na  Na17  1  0.44623100  0.44623100  0.94973900  1.0
  Na  Na18  1  0.79675300  0.49933100  0.78042000  1.0
  Na  Na19  1  0.81959600  0.18040400  0.00000000  1.0
  Na  Na20  1  0.80557000  0.80557000  0.78937600  1.0
  Na  Na21  1  0.93226600  0.47118100  0.94392800  1.0
  Na  Na22  1  0.82413400  0.82413400  0.52167600  1.0
  Na  Na23  1  0.52881900  0.06773400  0.05607200  1.0
  Na  Na24  1  0.20324700  0.50066900  0.21958000  1.0
  Na  Na25  1  0.86886900  0.86886900  0.96846700  1.0
  Na  Na26  1  0.47118100  0.93226600  0.94392800  1.0
  Na  Na27  1  0.06773400  0.52881900  0.05607200  1.0
  Na  Na28  1  0.50000000  0.00000000  0.50000000  1.0
  Na  Na29  1  0.13113100  0.13113100  0.03153300  1.0
  Na  Na30  1  0.49933100  0.79675300  0.78042000  1.0
  Na  Na31  1  0.18040400  0.81959600  0.00000000  1.0
  Na  Na32  1  0.55376900  0.55376900  0.05026100  1.0
  Na  Na33  1  0.00000000  0.00000000  0.50000000  1.0
  Na  Na34  1  0.00000000  0.50000000  0.50000000  1.0
  Ca  Ca35  1  0.50000000  0.50000000  0.50000000  1.0
  N  N36  1  0.34408300  0.34408300  0.62124000  1.0
  N  N37  1  0.65156400  0.36306000  0.38217600  1.0
  N  N38  1  0.34843600  0.63694000  0.61782400  1.0
  N  N39  1  0.63694000  0.34843600  0.61782400  1.0
  N  N40  1  0.65591700  0.65591700  0.37876000  1.0
  N  N41  1  0.36306000  0.65156400  0.38217600  1.0