# generated using pymatgen
data_CaZrZn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36276944
_cell_length_b   4.36276884
_cell_length_c   7.03861508
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998978
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZrZn4
_chemical_formula_sum   'Ca1 Zr1 Zn4'
_cell_volume   116.02253675
_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
  Ca  Ca0  1  0.00000000  0.00000000  0.00000000  1.0
  Zr  Zr1  1  0.00000000  0.00000000  0.50000000  1.0
  Zn  Zn2  1  0.66666600  0.33333200  0.29886724  1.0
  Zn  Zn3  1  0.33333400  0.66666800  0.29886724  1.0
  Zn  Zn4  1  0.66666600  0.33333200  0.70113376  1.0
  Zn  Zn5  1  0.33333400  0.66666800  0.70113376  1.0