# generated using pymatgen
data_CaAl3Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17144933
_cell_length_b   4.17144916
_cell_length_c   6.38807496
_cell_angle_alpha   70.94333995
_cell_angle_beta   70.94334074
_cell_angle_gamma   90.00000328
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAl3Zn
_chemical_formula_sum   'Ca1 Al3 Zn1'
_cell_volume   98.59928693
_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  0.00201915  0.00201915  0.99596170  1.0
  Al  Al1  1  0.74674956  0.24674956  0.50650187  1.0
  Al  Al2  1  0.24674956  0.74674956  0.50650187  1.0
  Al  Al3  1  0.39313083  0.39313083  0.21373833  1.0
  Zn  Zn4  1  0.61135089  0.61135089  0.77729823  1.0