# generated using pymatgen
data_CaNi(As4Ru)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34275945
_cell_length_b   7.39884897
_cell_length_c   7.34275906
_cell_angle_alpha   109.62603257
_cell_angle_beta   109.31596472
_cell_angle_gamma   109.62604092
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNi(As4Ru)3
_chemical_formula_sum   'Ca1 Ni1 As12 Ru3'
_cell_volume   306.49788742
_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
  Ni  Ni1  1  0.00000000  0.50000000  0.00000000  1.0
  As  As2  1  0.85164974  0.65260976  0.50299002  1.0
  As  As3  1  0.14835026  0.34739024  0.49700998  1.0
  As  As4  1  0.14717132  0.64999383  0.80113707  1.0
  As  As5  1  0.85282868  0.35000617  0.19886293  1.0
  As  As6  1  0.65396576  0.50282351  0.85282868  1.0
  As  As7  1  0.34603424  0.49717649  0.14717132  1.0
  As  As8  1  0.65134028  0.80096002  0.14835026  1.0
  As  As9  1  0.34865972  0.19903998  0.85164974  1.0
  As  As10  1  0.50299002  0.85038126  0.65134028  1.0
  As  As11  1  0.49700998  0.14961874  0.34865972  1.0
  As  As12  1  0.19886293  0.84885775  0.34603424  1.0
  As  As13  1  0.80113707  0.15114225  0.65396576  1.0
  Ru  Ru14  1  0.50000000  0.50000000  0.50000000  1.0
  Ru  Ru15  1  0.50000000  0.00000000  0.00000000  1.0
  Ru  Ru16  1  0.00000000  0.00000000  0.50000000  1.0