# generated using pymatgen
data_Cr3NiB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.03528071
_cell_length_b   9.03528071
_cell_length_c   2.95664000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   160.95569212
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3NiB6
_chemical_formula_sum   'Cr3 Ni1 B6'
_cell_volume   78.75856878
_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
  Cr  Cr0  1  0.79647100  0.20352900  0.50000000  1.0
  Cr  Cr1  1  0.92916800  0.07083200  0.00000000  1.0
  Cr  Cr2  1  0.07199000  0.92801000  0.50000000  1.0
  Ni  Ni3  1  0.20219000  0.79781000  0.00000000  1.0
  B  B4  1  0.52459300  0.47540700  0.00000000  1.0
  B  B5  1  0.47625900  0.52374100  0.50000000  1.0
  B  B6  1  0.32497100  0.67502900  0.00000000  1.0
  B  B7  1  0.67427700  0.32572300  0.50000000  1.0
  B  B8  1  0.62097500  0.37902500  0.00000000  1.0
  B  B9  1  0.37910700  0.62089300  0.50000000  1.0