# generated using pymatgen
data_CaAc(BRu)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.90848136
_cell_length_b   6.00604720
_cell_length_c   5.65664017
_cell_angle_alpha   72.57896070
_cell_angle_beta   56.04692958
_cell_angle_gamma   51.37411399
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAc(BRu)4
_chemical_formula_sum   'Ca1 Ac1 B4 Ru4'
_cell_volume   151.65947856
_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  0.75000000  0.75000000  0.75000000  1.0
  Ac  Ac1  1  0.50000000  0.50000000  0.50000000  1.0
  B  B2  1  0.17345693  0.82654307  0.17345693  1.0
  B  B3  1  0.07226210  0.42773790  0.07226210  1.0
  B  B4  1  0.82654307  0.17345693  0.82654307  1.0
  B  B5  1  0.42773790  0.07226210  0.42773790  1.0
  Ru  Ru6  1  0.86417329  0.86417329  0.13582671  1.0
  Ru  Ru7  1  0.13582671  0.13582671  0.86417329  1.0
  Ru  Ru8  1  0.38394486  0.38394486  0.11605514  1.0
  Ru  Ru9  1  0.11605514  0.11605514  0.38394486  1.0