# generated using pymatgen
data_BaPr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.00378706
_cell_length_b   4.00373670
_cell_length_c   6.57914812
_cell_angle_alpha   90.01905317
_cell_angle_beta   89.98081415
_cell_angle_gamma   120.00654473
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPr
_chemical_formula_sum   'Ba1 Pr1'
_cell_volume   91.32887315
_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  0.66667700  0.33332500  0.74999700  1.0
  Pr  Pr1  1  0.33332100  0.66667300  0.25000200  1.0