# generated using pymatgen
data_CaHo(NiB4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81213201
_cell_length_b   6.81213219
_cell_length_c   6.81213278
_cell_angle_alpha   112.96582888
_cell_angle_beta   112.96583377
_cell_angle_gamma   102.68764400
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaHo(NiB4)2
_chemical_formula_sum   'Ca2 Ho2 Ni4 B16'
_cell_volume   240.83136524
_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  0.79799217  0.79799217  1.00000000  1.0
  Ca  Ca1  1  0.20200783  0.20200783  0.00000000  1.0
  Ho  Ho2  1  0.75000000  0.25000000  0.50000000  1.0
  Ho  Ho3  1  0.25000000  0.75000000  0.50000000  1.0
  Ni  Ni4  1  0.27420657  0.50000000  0.77420657  1.0
  Ni  Ni5  1  0.72579343  0.50000000  0.22579343  1.0
  Ni  Ni6  1  0.50000000  0.72579343  0.22579343  1.0
  Ni  Ni7  1  0.50000000  0.27420657  0.77420657  1.0
  B  B8  1  0.27812620  0.11287050  0.39099770  1.0
  B  B9  1  0.72187380  0.88712950  0.60900230  1.0
  B  B10  1  0.27812620  0.88712950  0.16525569  1.0
  B  B11  1  0.72187380  0.11287050  0.83474431  1.0
  B  B12  1  0.11287050  0.72187380  0.83474431  1.0
  B  B13  1  0.88712950  0.27812620  0.16525569  1.0
  B  B14  1  0.11287050  0.27812620  0.39099770  1.0
  B  B15  1  0.88712950  0.72187380  0.60900230  1.0
  B  B16  1  0.11403536  0.11403536  0.53140617  1.0
  B  B17  1  0.58263019  0.58263019  0.46859383  1.0
  B  B18  1  0.11403536  0.58263019  0.00000000  1.0
  B  B19  1  0.58263019  0.11403536  0.00000000  1.0
  B  B20  1  0.88596464  0.88596464  0.46859383  1.0
  B  B21  1  0.41736981  0.41736981  0.53140617  1.0
  B  B22  1  0.88596464  0.41736981  1.00000000  1.0
  B  B23  1  0.41736981  0.88596464  1.00000000  1.0