# generated using pymatgen
data_Ca4ScSn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.18562319
_cell_length_b   9.18553010
_cell_length_c   9.18562368
_cell_angle_alpha   96.84252339
_cell_angle_beta   96.84363640
_cell_angle_gamma   139.61498825
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4ScSn3
_chemical_formula_sum   'Ca8 Sc2 Sn6'
_cell_volume   471.29527326
_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  0.08484974  0.21250735  0.29735298  1.0
  Ca  Ca1  1  0.91515026  0.78749265  0.70264702  1.0
  Ca  Ca2  1  0.78749970  0.08485099  0.87234191  1.0
  Ca  Ca3  1  0.41515437  0.71250735  0.12765761  1.0
  Ca  Ca4  1  0.21250030  0.91514901  0.12765809  1.0
  Ca  Ca5  1  0.58484563  0.28749265  0.87234239  1.0
  Ca  Ca6  1  0.71250908  0.58485099  0.29735129  1.0
  Ca  Ca7  1  0.28749092  0.41514901  0.70264871  1.0
  Sc  Sc8  1  0.25000559  0.75000000  0.50000559  1.0
  Sc  Sc9  1  0.74999441  0.25000000  0.49999441  1.0
  Sn  Sn10  1  0.14552696  0.64552666  0.79103180  1.0
  Sn  Sn11  1  0.85447304  0.35447334  0.20896820  1.0
  Sn  Sn12  1  0.35449487  0.14552666  0.49999970  1.0
  Sn  Sn13  1  0.64550513  0.85447334  0.50000030  1.0
  Sn  Sn14  1  0.25000281  0.25000000  0.00000281  1.0
  Sn  Sn15  1  0.74999719  0.75000000  0.99999719  1.0