# generated using pymatgen
data_Ca5Ni15B4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08436453
_cell_length_b   5.08436453
_cell_length_c   27.83177200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000692
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5Ni15B4
_chemical_formula_sum   'Ca10 Ni30 B8'
_cell_volume   623.08144767
_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
  Ca  Ca0  1  0.66666700  0.33333300  0.75000000  1.0
  Ca  Ca1  1  0.33333300  0.66666700  0.25000000  1.0
  Ca  Ca2  1  0.33333300  0.66666700  0.48135800  1.0
  Ca  Ca3  1  0.66666700  0.33333300  0.98135800  1.0
  Ca  Ca4  1  0.66666700  0.33333300  0.51864200  1.0
  Ca  Ca5  1  0.33333300  0.66666700  0.01864200  1.0
  Ca  Ca6  1  0.33333300  0.66666700  0.36868000  1.0
  Ca  Ca7  1  0.66666700  0.33333300  0.86868000  1.0
  Ca  Ca8  1  0.66666700  0.33333300  0.63132000  1.0
  Ca  Ca9  1  0.33333300  0.66666700  0.13132000  1.0
  Ni  Ni10  1  0.83283700  0.16716300  0.17755900  1.0
  Ni  Ni11  1  0.16716300  0.33432600  0.82244100  1.0
  Ni  Ni12  1  0.16716300  0.83283700  0.82244100  1.0
  Ni  Ni13  1  0.16716300  0.33432600  0.67755900  1.0
  Ni  Ni14  1  0.66567400  0.83283700  0.82244100  1.0
  Ni  Ni15  1  0.33432600  0.16716300  0.32244100  1.0
  Ni  Ni16  1  0.83283700  0.66567400  0.32244100  1.0
  Ni  Ni17  1  0.83283700  0.16716300  0.32244100  1.0
  Ni  Ni18  1  0.33333300  0.66666700  0.75000000  1.0
  Ni  Ni19  1  0.66666700  0.33333300  0.25000000  1.0
  Ni  Ni20  1  0.00000000  0.00000000  0.25000000  1.0
  Ni  Ni21  1  0.00000000  0.00000000  0.75000000  1.0
  Ni  Ni22  1  0.33432600  0.16716300  0.17755900  1.0
  Ni  Ni23  1  0.66567400  0.83283700  0.67755900  1.0
  Ni  Ni24  1  0.16716300  0.83283700  0.67755900  1.0
  Ni  Ni25  1  0.83283700  0.66567400  0.17755900  1.0
  Ni  Ni26  1  0.83564900  0.16435100  0.42213600  1.0
  Ni  Ni27  1  0.83564900  0.67129800  0.42213600  1.0
  Ni  Ni28  1  0.32870200  0.16435100  0.42213600  1.0
  Ni  Ni29  1  0.67129800  0.83564900  0.92213600  1.0
  Ni  Ni30  1  0.16435100  0.32870200  0.57786400  1.0
  Ni  Ni31  1  0.16435100  0.83564900  0.92213600  1.0
  Ni  Ni32  1  0.16435100  0.32870200  0.92213600  1.0
  Ni  Ni33  1  0.83564900  0.16435100  0.07786400  1.0
  Ni  Ni34  1  0.32870200  0.16435100  0.07786400  1.0
  Ni  Ni35  1  0.67129800  0.83564900  0.57786400  1.0
  Ni  Ni36  1  0.16435100  0.83564900  0.57786400  1.0
  Ni  Ni37  1  0.83564900  0.67129800  0.07786400  1.0
  Ni  Ni38  1  0.00000000  0.00000000  0.50000000  1.0
  Ni  Ni39  1  0.00000000  0.00000000  0.00000000  1.0
  B  B40  1  0.00000000  0.00000000  0.37180700  1.0
  B  B41  1  0.00000000  0.00000000  0.87180700  1.0
  B  B42  1  0.00000000  0.00000000  0.62819300  1.0
  B  B43  1  0.00000000  0.00000000  0.12819300  1.0
  B  B44  1  0.33333300  0.66666700  0.87326600  1.0
  B  B45  1  0.66666700  0.33333300  0.37326600  1.0
  B  B46  1  0.66666700  0.33333300  0.12673400  1.0
  B  B47  1  0.33333300  0.66666700  0.62673400  1.0