# generated using pymatgen
data_BaCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31659313
_cell_length_b   4.31659309
_cell_length_c   4.31659373
_cell_angle_alpha   77.02716604
_cell_angle_beta   77.02716971
_cell_angle_gamma   77.02716943
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCO3
_chemical_formula_sum   'Ba1 C1 O3'
_cell_volume   75.08311096
_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  0.02737796  0.02737796  0.02737796  1.0
  C  C1  1  0.46735411  0.46735411  0.46735411  1.0
  O  O2  1  0.18721907  0.60302492  0.60302492  1.0
  O  O3  1  0.60302492  0.18721907  0.60302492  1.0
  O  O4  1  0.60302492  0.60302492  0.18721907  1.0