# generated using pymatgen
data_Ca2Tm(Zn3Ni2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.77285222
_cell_length_b   8.77285115
_cell_length_c   4.13629213
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999307
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Tm(Zn3Ni2)3
_chemical_formula_sum   'Ca2 Tm1 Zn9 Ni6'
_cell_volume   275.69154056
_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  0.33333300  0.66666700  0.00000000  1.0
  Ca  Ca1  1  0.66666700  0.33333300  0.00000000  1.0
  Tm  Tm2  1  0.00000000  0.00000000  0.50000000  1.0
  Zn  Zn3  1  0.50000000  0.00000000  0.50000000  1.0
  Zn  Zn4  1  0.50000000  0.50000000  0.50000000  1.0
  Zn  Zn5  1  0.00000000  0.50000000  0.50000000  1.0
  Zn  Zn6  1  0.28933286  1.00000000  0.00000000  1.0
  Zn  Zn7  1  0.28933286  0.28933286  0.00000000  1.0
  Zn  Zn8  1  0.00000000  0.71066714  0.00000000  1.0
  Zn  Zn9  1  1.00000000  0.28933286  0.00000000  1.0
  Zn  Zn10  1  0.71066714  0.71066714  0.00000000  1.0
  Zn  Zn11  1  0.71066714  0.00000000  0.00000000  1.0
  Ni  Ni12  1  0.17835554  0.35671108  0.50000000  1.0
  Ni  Ni13  1  0.82164446  0.17835554  0.50000000  1.0
  Ni  Ni14  1  0.35671108  0.17835554  0.50000000  1.0
  Ni  Ni15  1  0.64328892  0.82164446  0.50000000  1.0
  Ni  Ni16  1  0.17835554  0.82164446  0.50000000  1.0
  Ni  Ni17  1  0.82164446  0.64328892  0.50000000  1.0