# generated using pymatgen
data_CaSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82751741
_cell_length_b   4.38320957
_cell_length_c   6.23944918
_cell_angle_alpha   90.00000000
_cell_angle_beta   112.75888988
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSn
_chemical_formula_sum   'Ca2 Sn2'
_cell_volume   121.74738699
_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  0.13331289  0.75000000  0.26662679  1.0
  Ca  Ca1  1  0.86668711  0.25000000  0.73337321  1.0
  Sn  Sn2  1  0.41565310  0.75000000  0.83130619  1.0
  Sn  Sn3  1  0.58434690  0.25000000  0.16869381  1.0