# generated using pymatgen
data_Ca3Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96681781
_cell_length_b   6.96681781
_cell_length_c   9.89049248
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   144.95440090
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Zn
_chemical_formula_sum   'Ca6 Zn2'
_cell_volume   275.65846007
_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  0.57060333  0.42939667  0.75000000  1.0
  Ca  Ca1  1  0.42939667  0.57060333  0.25000000  1.0
  Ca  Ca2  1  0.85681544  0.14318456  0.93758939  1.0
  Ca  Ca3  1  0.14318456  0.85681544  0.06241061  1.0
  Ca  Ca4  1  0.14318456  0.85681544  0.43758939  1.0
  Ca  Ca5  1  0.85681544  0.14318456  0.56241061  1.0
  Zn  Zn6  1  0.24577675  0.75422325  0.75000000  1.0
  Zn  Zn7  1  0.75422325  0.24577675  0.25000000  1.0