# generated using pymatgen
data_CaZn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.12091603
_cell_length_b   9.12091603
_cell_length_c   9.76236200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000024
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZn3
_chemical_formula_sum   'Ca8 Zn24'
_cell_volume   703.33536276
_cell_formula_units_Z   8
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  0.00000000  0.00000000  0.75000000  1.0
  Ca  Ca1  1  0.54319600  0.08639200  0.25000000  1.0
  Ca  Ca2  1  0.91360800  0.45680400  0.25000000  1.0
  Ca  Ca3  1  0.08639200  0.54319600  0.75000000  1.0
  Ca  Ca4  1  0.45680400  0.54319600  0.75000000  1.0
  Ca  Ca5  1  0.00000000  0.00000000  0.25000000  1.0
  Ca  Ca6  1  0.54319600  0.45680400  0.25000000  1.0
  Ca  Ca7  1  0.45680400  0.91360800  0.75000000  1.0
  Zn  Zn8  1  0.83151400  0.66302800  0.50773400  1.0
  Zn  Zn9  1  0.16848600  0.33697200  0.00773400  1.0
  Zn  Zn10  1  0.33697200  0.16848600  0.99226600  1.0
  Zn  Zn11  1  0.83151400  0.16848600  0.99226600  1.0
  Zn  Zn12  1  0.33333300  0.66666700  0.49095900  1.0
  Zn  Zn13  1  0.23434800  0.46869600  0.25000000  1.0
  Zn  Zn14  1  0.83151400  0.16848600  0.50773400  1.0
  Zn  Zn15  1  0.83151400  0.66302800  0.99226600  1.0
  Zn  Zn16  1  0.66666700  0.33333300  0.99095900  1.0
  Zn  Zn17  1  0.16848600  0.83151400  0.00773400  1.0
  Zn  Zn18  1  0.66302800  0.83151400  0.49226600  1.0
  Zn  Zn19  1  0.46869600  0.23434800  0.75000000  1.0
  Zn  Zn20  1  0.33697200  0.16848600  0.50773400  1.0
  Zn  Zn21  1  0.53130400  0.76565200  0.25000000  1.0
  Zn  Zn22  1  0.66302800  0.83151400  0.00773400  1.0
  Zn  Zn23  1  0.16848600  0.83151400  0.49226600  1.0
  Zn  Zn24  1  0.66666700  0.33333300  0.50904100  1.0
  Zn  Zn25  1  0.00000000  0.00000000  0.50000000  1.0
  Zn  Zn26  1  0.76565200  0.23434800  0.75000000  1.0
  Zn  Zn27  1  0.33333300  0.66666700  0.00904100  1.0
  Zn  Zn28  1  0.23434800  0.76565200  0.25000000  1.0
  Zn  Zn29  1  0.16848600  0.33697200  0.49226600  1.0
  Zn  Zn30  1  0.76565200  0.53130400  0.75000000  1.0
  Zn  Zn31  1  0.00000000  0.00000000  0.00000000  1.0