# generated using pymatgen
data_Ca2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06679450
_cell_length_b   7.94400692
_cell_length_c   9.56025906
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Sn
_chemical_formula_sum   'Ca8 Sn4'
_cell_volume   384.80664678
_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  0.75000000  0.34346834  0.92963946  1.0
  Ca  Ca1  1  0.25000000  0.65653166  0.07036054  1.0
  Ca  Ca2  1  0.75000000  0.84346834  0.57036054  1.0
  Ca  Ca3  1  0.25000000  0.15653166  0.42963946  1.0
  Ca  Ca4  1  0.75000000  0.47732207  0.31714656  1.0
  Ca  Ca5  1  0.25000000  0.52267793  0.68285344  1.0
  Ca  Ca6  1  0.75000000  0.97732207  0.18285344  1.0
  Ca  Ca7  1  0.25000000  0.02267793  0.81714656  1.0
  Sn  Sn8  1  0.75000000  0.74953360  0.89070700  1.0
  Sn  Sn9  1  0.25000000  0.25046640  0.10929300  1.0
  Sn  Sn10  1  0.75000000  0.24953360  0.60929300  1.0
  Sn  Sn11  1  0.25000000  0.75046640  0.39070700  1.0