# generated using pymatgen
data_CaZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67281800
_cell_length_b   5.22625900
_cell_length_c   5.23922000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZn
_chemical_formula_sum   'Ca2 Zn2'
_cell_volume   100.56734201
_cell_formula_units_Z   2
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  0.75000000  0.24502400  1.0
  Ca  Ca1  1  0.00000000  0.25000000  0.75497600  1.0
  Zn  Zn2  1  0.50000000  0.25000000  0.26146300  1.0
  Zn  Zn3  1  0.50000000  0.75000000  0.73853700  1.0