# generated using pymatgen
data_BaCaSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08204403
_cell_length_b   8.58932451
_cell_length_c   9.16594556
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCaSi
_chemical_formula_sum   'Ba4 Ca4 Si4'
_cell_volume   400.10567176
_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
  Ba  Ba0  1  0.25000000  0.02722504  0.82374619  1.0
  Ba  Ba1  1  0.75000000  0.97277496  0.17625381  1.0
  Ba  Ba2  1  0.25000000  0.52722504  0.67625381  1.0
  Ba  Ba3  1  0.75000000  0.47277496  0.32374619  1.0
  Ca  Ca4  1  0.75000000  0.35894829  0.92554394  1.0
  Ca  Ca5  1  0.25000000  0.64105171  0.07445606  1.0
  Ca  Ca6  1  0.75000000  0.85894829  0.57445606  1.0
  Ca  Ca7  1  0.25000000  0.14105171  0.42554394  1.0
  Si  Si8  1  0.25000000  0.78248094  0.39182602  1.0
  Si  Si9  1  0.75000000  0.21751906  0.60817398  1.0
  Si  Si10  1  0.25000000  0.28248094  0.10817398  1.0
  Si  Si11  1  0.75000000  0.71751906  0.89182602  1.0