# generated using pymatgen
data_CaZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58827507
_cell_length_b   5.58827602
_cell_length_c   8.68390023
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000652
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZn2
_chemical_formula_sum   'Ca4 Zn8'
_cell_volume   234.85567133
_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  0.33333300  0.66666700  0.05781324  1.0
  Ca  Ca1  1  0.66666700  0.33333300  0.55781324  1.0
  Ca  Ca2  1  0.66666700  0.33333300  0.94218676  1.0
  Ca  Ca3  1  0.33333300  0.66666700  0.44218676  1.0
  Zn  Zn4  1  0.00000000  -0.00000000  0.00000000  1.0
  Zn  Zn5  1  0.00000000  -0.00000000  0.50000000  1.0
  Zn  Zn6  1  0.83440208  0.66880415  0.25000000  1.0
  Zn  Zn7  1  0.16559792  0.83440208  0.75000000  1.0
  Zn  Zn8  1  0.66880415  0.83440208  0.75000000  1.0
  Zn  Zn9  1  0.33119585  0.16559792  0.25000000  1.0
  Zn  Zn10  1  0.83440208  0.16559792  0.25000000  1.0
  Zn  Zn11  1  0.16559792  0.33119585  0.75000000  1.0