# generated using pymatgen
data_Ca2Tm3Sn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.81645567
_cell_length_b   8.31634897
_cell_length_c   15.65712355
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Tm3Sn4
_chemical_formula_sum   'Ca8 Tm12 Sn16'
_cell_volume   1017.78150044
_cell_formula_units_Z   4
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  0.49861138  0.31666973  0.90842295  1.0
  Ca  Ca1  1  0.99861138  0.18333027  0.59157705  1.0
  Ca  Ca2  1  0.50138862  0.68333027  0.40842295  1.0
  Ca  Ca3  1  0.00138862  0.81666973  0.09157705  1.0
  Ca  Ca4  1  0.50138862  0.68333027  0.09157705  1.0
  Ca  Ca5  1  0.00138862  0.81666973  0.40842295  1.0
  Ca  Ca6  1  0.49861138  0.31666973  0.59157705  1.0
  Ca  Ca7  1  0.99861138  0.18333027  0.90842295  1.0
  Tm  Tm8  1  0.32815492  0.83744613  0.87637024  1.0
  Tm  Tm9  1  0.82815492  0.66255387  0.62362976  1.0
  Tm  Tm10  1  0.67184508  0.16255387  0.37637024  1.0
  Tm  Tm11  1  0.17184508  0.33744613  0.12362976  1.0
  Tm  Tm12  1  0.67184508  0.16255387  0.12362976  1.0
  Tm  Tm13  1  0.17184508  0.33744613  0.37637024  1.0
  Tm  Tm14  1  0.32815492  0.83744613  0.62362976  1.0
  Tm  Tm15  1  0.82815492  0.66255387  0.87637024  1.0
  Tm  Tm16  1  0.16294285  0.49147160  0.75000000  1.0
  Tm  Tm17  1  0.66294285  0.00852840  0.75000000  1.0
  Tm  Tm18  1  0.83705715  0.50852840  0.25000000  1.0
  Tm  Tm19  1  0.33705715  0.99147160  0.25000000  1.0
  Sn  Sn20  1  0.32975041  0.03853658  0.04373629  1.0
  Sn  Sn21  1  0.82975041  0.46146342  0.45626371  1.0
  Sn  Sn22  1  0.67024959  0.96146342  0.54373629  1.0
  Sn  Sn23  1  0.17024959  0.53853658  0.95626371  1.0
  Sn  Sn24  1  0.67024959  0.96146342  0.95626371  1.0
  Sn  Sn25  1  0.17024959  0.53853658  0.54373629  1.0
  Sn  Sn26  1  0.32975041  0.03853658  0.45626371  1.0
  Sn  Sn27  1  0.82975041  0.46146342  0.04373629  1.0
  Sn  Sn28  1  0.52592539  0.63057179  0.75000000  1.0
  Sn  Sn29  1  0.02592539  0.86942821  0.75000000  1.0
  Sn  Sn30  1  0.47407461  0.36942821  0.25000000  1.0
  Sn  Sn31  1  0.97407461  0.13057179  0.25000000  1.0
  Sn  Sn32  1  0.29090594  0.13728708  0.75000000  1.0
  Sn  Sn33  1  0.79090594  0.36271292  0.75000000  1.0
  Sn  Sn34  1  0.70909406  0.86271292  0.25000000  1.0
  Sn  Sn35  1  0.20909406  0.63728708  0.25000000  1.0