# generated using pymatgen
data_Ca2CuNi7B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02571864
_cell_length_b   5.02571876
_cell_length_c   6.77932847
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999925
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2CuNi7B2
_chemical_formula_sum   'Ca2 Cu1 Ni7 B2'
_cell_volume   148.29061449
_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  0.50000000  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu2  1  0.33333300  0.66666700  0.50000000  1.0
  Ni  Ni3  1  0.50075787  0.49924213  0.79660575  1.0
  Ni  Ni4  1  0.99848426  0.49924213  0.79660575  1.0
  Ni  Ni5  1  0.66666700  0.33333300  0.50000000  1.0
  Ni  Ni6  1  0.50075787  0.00151574  0.79660575  1.0
  Ni  Ni7  1  0.99848426  0.49924213  0.20339425  1.0
  Ni  Ni8  1  0.50075787  0.49924213  0.20339425  1.0
  Ni  Ni9  1  0.50075787  0.00151574  0.20339425  1.0
  B  B10  1  0.66666700  0.33333300  0.00000000  1.0
  B  B11  1  0.33333300  0.66666700  0.00000000  1.0