# generated using pymatgen
data_BaCaTi4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55764633
_cell_length_b   5.55764633
_cell_length_c   7.80762100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000390
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCaTi4O8
_chemical_formula_sum   'Ba1 Ca1 Ti4 O8'
_cell_volume   208.84839899
_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  0.00000000  0.00000000  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.50000000  1.0
  Ti  Ti2  1  0.33333300  0.66666700  0.75941800  1.0
  Ti  Ti3  1  0.66666700  0.33333300  0.75941800  1.0
  Ti  Ti4  1  0.33333300  0.66666700  0.24058200  1.0
  Ti  Ti5  1  0.66666700  0.33333300  0.24058200  1.0
  O  O6  1  0.33107200  0.33107200  0.69424000  1.0
  O  O7  1  0.66892800  0.00000000  0.69424000  1.0
  O  O8  1  0.00000000  0.66892800  0.69424000  1.0
  O  O9  1  0.66892800  0.66892800  0.30576000  1.0
  O  O10  1  0.00000000  0.33107200  0.30576000  1.0
  O  O11  1  0.33107200  0.00000000  0.30576000  1.0
  O  O12  1  0.33333300  0.66666700  0.00000000  1.0
  O  O13  1  0.66666700  0.33333300  0.00000000  1.0