# generated using pymatgen
data_BaCaCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.30593928
_cell_length_b   5.30593928
_cell_length_c   13.13828200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999103
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCaCO3
_chemical_formula_sum   'Ba2 Ca2 C2 O6'
_cell_volume   320.32718835
_cell_formula_units_Z   2
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  0.66666700  0.33333300  0.49987000  1.0
  Ba  Ba1  1  0.33333300  0.66666700  0.99987000  1.0
  Ca  Ca2  1  0.66666700  0.33333300  0.80615200  1.0
  Ca  Ca3  1  0.33333300  0.66666700  0.30615200  1.0
  C  C4  1  0.00000000  0.00000000  0.92282000  1.0
  C  C5  1  0.00000000  0.00000000  0.42282000  1.0
  O  O6  1  0.85889700  0.71779500  0.92439000  1.0
  O  O7  1  0.28220500  0.14110300  0.92439000  1.0
  O  O8  1  0.85889700  0.14110300  0.92439000  1.0
  O  O9  1  0.14110300  0.28220500  0.42439000  1.0
  O  O10  1  0.71779500  0.85889700  0.42439000  1.0
  O  O11  1  0.14110300  0.85889700  0.42439000  1.0