# generated using pymatgen
data_BaCaIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.65874847
_cell_length_b   13.65874847
_cell_length_c   13.65874847
_cell_angle_alpha   122.67118691
_cell_angle_beta   121.52461107
_cell_angle_gamma   86.40623954
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCaIn2
_chemical_formula_sum   'Ba1 Ca1 In2'
_cell_volume   1740.74576149
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.00000000  0.50000000  0.50000000  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.00000000  1.0
  In  In2  1  0.00000000  0.24341100  0.24341100  1.0
  In  In3  1  0.00000000  0.75658900  0.75658900  1.0