# generated using pymatgen
data_CaCu2(NiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.50354700
_cell_length_b   6.39584000
_cell_length_c   12.12046004
_cell_angle_alpha   85.96147577
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCu2(NiO4)2
_chemical_formula_sum   'Ca4 Cu8 Ni8 O32'
_cell_volume   657.56256886
_cell_formula_units_Z   4
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  0.17875100  0.16982600  0.01591100  1.0
  Ca  Ca1  1  0.82124900  0.83017400  0.98408900  1.0
  Ca  Ca2  1  0.67875100  0.83017400  0.48408900  1.0
  Ca  Ca3  1  0.32124900  0.16982600  0.51591100  1.0
  Cu  Cu4  1  0.19396900  0.73123800  0.88217200  1.0
  Cu  Cu5  1  0.03922900  0.41490400  0.64149100  1.0
  Cu  Cu6  1  0.96077100  0.58509600  0.35850900  1.0
  Cu  Cu7  1  0.80603100  0.26876200  0.11782800  1.0
  Cu  Cu8  1  0.30603100  0.73123800  0.38217200  1.0
  Cu  Cu9  1  0.46077100  0.41490400  0.14149100  1.0
  Cu  Cu10  1  0.69396900  0.26876200  0.61782800  1.0
  Cu  Cu11  1  0.53922900  0.58509600  0.85850900  1.0
  Ni  Ni12  1  0.47560800  0.08068000  0.82605600  1.0
  Ni  Ni13  1  0.02439200  0.08068000  0.32605600  1.0
  Ni  Ni14  1  0.10205100  0.61488500  0.13579300  1.0
  Ni  Ni15  1  0.97560800  0.91932000  0.67394400  1.0
  Ni  Ni16  1  0.89794900  0.38511500  0.86420700  1.0
  Ni  Ni17  1  0.60205100  0.38511500  0.36420700  1.0
  Ni  Ni18  1  0.39794900  0.61488500  0.63579300  1.0
  Ni  Ni19  1  0.52439200  0.91932000  0.17394400  1.0
  O  O20  1  0.21268700  0.98925000  0.37965000  1.0
  O  O21  1  0.97691600  0.68603700  0.60133900  1.0
  O  O22  1  0.59870600  0.18517700  0.48015400  1.0
  O  O23  1  0.09870600  0.81482300  0.01984600  1.0
  O  O24  1  0.28731300  0.98925000  0.87965000  1.0
  O  O25  1  0.78731300  0.01075000  0.62035000  1.0
  O  O26  1  0.10494200  0.13976000  0.65054400  1.0
  O  O27  1  0.89976000  0.53134300  0.11879100  1.0
  O  O28  1  0.60024000  0.53134300  0.61879100  1.0
  O  O29  1  0.85207600  0.35674900  0.71553200  1.0
  O  O30  1  0.35207600  0.64325100  0.78446800  1.0
  O  O31  1  0.10024000  0.46865700  0.88120900  1.0
  O  O32  1  0.89505800  0.86024000  0.34945600  1.0
  O  O33  1  0.51192300  0.84470000  0.31386500  1.0
  O  O34  1  0.23076900  0.47265100  0.58069800  1.0
  O  O35  1  0.26923100  0.47265100  0.08069800  1.0
  O  O36  1  0.01192300  0.15530000  0.18613500  1.0
  O  O37  1  0.39976000  0.46865700  0.38120900  1.0
  O  O38  1  0.48807700  0.15530000  0.68613500  1.0
  O  O39  1  0.40129400  0.81482300  0.51984600  1.0
  O  O40  1  0.52308400  0.68603700  0.10133900  1.0
  O  O41  1  0.14792400  0.64325100  0.28446800  1.0
  O  O42  1  0.71268700  0.01075000  0.12035000  1.0
  O  O43  1  0.39505800  0.13976000  0.15054400  1.0
  O  O44  1  0.90129400  0.18517700  0.98015400  1.0
  O  O45  1  0.73076900  0.52734900  0.91930200  1.0
  O  O46  1  0.02308400  0.31396300  0.39866100  1.0
  O  O47  1  0.47691600  0.31396300  0.89866100  1.0
  O  O48  1  0.60494200  0.86024000  0.84945600  1.0
  O  O49  1  0.76923100  0.52734900  0.41930200  1.0
  O  O50  1  0.64792400  0.35674900  0.21553200  1.0
  O  O51  1  0.98807700  0.84470000  0.81386500  1.0