# generated using pymatgen
data_Ca2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36490286
_cell_length_b   7.25647359
_cell_length_c   9.94008038
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2In
_chemical_formula_sum   'Ca8 In4'
_cell_volume   386.97007183
_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  0.96597605  0.29914905  1.0
  Ca  Ca1  1  0.25000000  0.03402395  0.70085095  1.0
  Ca  Ca2  1  0.75000000  0.46597605  0.20085095  1.0
  Ca  Ca3  1  0.25000000  0.53402395  0.79914905  1.0
  Ca  Ca4  1  0.75000000  0.82737221  0.93357277  1.0
  Ca  Ca5  1  0.25000000  0.17262779  0.06642723  1.0
  Ca  Ca6  1  0.75000000  0.32737221  0.56642723  1.0
  Ca  Ca7  1  0.25000000  0.67262779  0.43357277  1.0
  In  In8  1  0.75000000  0.77448233  0.61134538  1.0
  In  In9  1  0.25000000  0.22551767  0.38865462  1.0
  In  In10  1  0.75000000  0.27448233  0.88865462  1.0
  In  In11  1  0.25000000  0.72551767  0.11134538  1.0