# generated using pymatgen
data_CaY3B16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.11754480
_cell_length_b   7.11754399
_cell_length_c   4.02848007
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.03380787
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaY3B16
_chemical_formula_sum   'Ca1 Y3 B16'
_cell_volume   204.08050157
_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  0.18095793  0.68095793  0.00000000  1.0
  Y  Y1  1  0.68136753  0.81862485  0.00000000  1.0
  Y  Y2  1  0.31862485  0.18136753  0.00000000  1.0
  Y  Y3  1  0.81869701  0.31869701  0.00000000  1.0
  B  B4  1  0.32467867  0.46129073  0.50000000  1.0
  B  B5  1  0.67626488  0.53769445  0.50000000  1.0
  B  B6  1  0.53854521  0.32503340  0.50000000  1.0
  B  B7  1  0.46288114  0.67552926  0.50000000  1.0
  B  B8  1  0.00023359  0.99904867  0.20323981  1.0
  B  B9  1  0.49904867  0.50023359  0.79676019  1.0
  B  B10  1  0.00023359  0.99904867  0.79676019  1.0
  B  B11  1  0.49904867  0.50023359  0.20323981  1.0
  B  B12  1  0.58722357  0.08722357  0.50000000  1.0
  B  B13  1  0.08622309  0.41260480  0.50000000  1.0
  B  B14  1  0.91260480  0.58622309  0.50000000  1.0
  B  B15  1  0.41381597  0.91381597  0.50000000  1.0
  B  B16  1  0.03769445  0.17626488  0.50000000  1.0
  B  B17  1  0.17552926  0.96288114  0.50000000  1.0
  B  B18  1  0.82503340  0.03854521  0.50000000  1.0
  B  B19  1  0.96129073  0.82467867  0.50000000  1.0