# generated using pymatgen
data_CaYb2BN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.50723523
_cell_length_b   3.50723523
_cell_length_c   7.92120432
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaYb2BN3
_chemical_formula_sum   'Ca1 Yb2 B1 N3'
_cell_volume   97.43634955
_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
  Ca  Ca0  1  0.00000000  0.00000000  0.00000000  1.0
  Yb  Yb1  1  0.50000000  0.50000000  0.72061250  1.0
  Yb  Yb2  1  0.50000000  0.50000000  0.27938750  1.0
  B  B3  1  0.00000000  0.00000000  0.50000000  1.0
  N  N4  1  0.00000000  0.00000000  0.66951121  1.0
  N  N5  1  0.00000000  0.00000000  0.33048879  1.0
  N  N6  1  0.50000000  0.50000000  0.00000000  1.0