# generated using pymatgen
data_AcNi3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05446453
_cell_length_b   6.05446464
_cell_length_c   6.05446437
_cell_angle_alpha   131.42917087
_cell_angle_beta   106.01789079
_cell_angle_gamma   93.57579041
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AcNi3B
_chemical_formula_sum   'Ac2 Ni6 B2'
_cell_volume   150.41852174
_cell_formula_units_Z   2
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
  Ac  Ac0  1  0.82433064  0.57433064  0.25000000  1.0
  Ac  Ac1  1  0.17566936  0.42566936  0.75000000  1.0
  Ni  Ni2  1  0.32995323  0.50000000  0.32995323  1.0
  Ni  Ni3  1  0.67004677  0.50000000  0.67004677  1.0
  Ni  Ni4  1  0.67004677  1.00000000  0.17004677  1.0
  Ni  Ni5  1  0.32995323  0.00000000  0.82995323  1.0
  Ni  Ni6  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni7  1  0.50000000  0.00000000  0.50000000  1.0
  B  B8  1  0.38261762  0.13261762  0.25000000  1.0
  B  B9  1  0.61738238  0.86738238  0.75000000  1.0