# generated using pymatgen
data_Ca7Ni4Sn13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.21260413
_cell_length_b   11.21260413
_cell_length_c   4.59920244
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca7Ni4Sn13
_chemical_formula_sum   'Ca7 Ni4 Sn13'
_cell_volume   578.22318910
_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  0.83817463  0.17034548  -0.00000000  1.0
  Ca  Ca1  1  0.82965452  0.83817463  -0.00000000  1.0
  Ca  Ca2  1  0.16182537  0.82965452  0.00000000  1.0
  Ca  Ca3  1  0.17034548  0.16182537  0.00000000  1.0
  Ca  Ca4  1  0.50000000  0.50000000  0.50000000  1.0
  Ca  Ca5  1  -0.00000000  0.50000000  -0.00000000  1.0
  Ca  Ca6  1  0.50000000  -0.00000000  -0.00000000  1.0
  Ni  Ni7  1  0.77496457  0.61936102  0.50000000  1.0
  Ni  Ni8  1  0.38063898  0.77496457  0.50000000  1.0
  Ni  Ni9  1  0.61936102  0.22503543  0.50000000  1.0
  Ni  Ni10  1  0.22503543  0.38063898  0.50000000  1.0
  Sn  Sn11  1  0.01896621  0.28671286  0.50000000  1.0
  Sn  Sn12  1  0.98103379  0.71328714  0.50000000  1.0
  Sn  Sn13  1  0.21605751  0.61086552  0.50000000  1.0
  Sn  Sn14  1  0.57611202  0.30831743  -0.00000000  1.0
  Sn  Sn15  1  0.69168257  0.57611202  -0.00000000  1.0
  Sn  Sn16  1  0.78394249  0.38913448  0.50000000  1.0
  Sn  Sn17  1  0.71328714  0.01896621  0.50000000  1.0
  Sn  Sn18  1  -0.00000000  -0.00000000  0.50000000  1.0
  Sn  Sn19  1  0.28671286  0.98103379  0.50000000  1.0
  Sn  Sn20  1  0.42388798  0.69168257  0.00000000  1.0
  Sn  Sn21  1  0.61086552  0.78394249  0.50000000  1.0
  Sn  Sn22  1  0.30831743  0.42388798  0.00000000  1.0
  Sn  Sn23  1  0.38913448  0.21605751  0.50000000  1.0