# generated using pymatgen
data_CaNi3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26551300
_cell_length_b   10.24899000
_cell_length_c   11.42320000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNi3O7
_chemical_formula_sum   'Ca4 Ni12 O28'
_cell_volume   616.46658254
_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  0.67413300  0.75000000  0.08583600  1.0
  Ca  Ca1  1  0.17413300  0.25000000  0.41416400  1.0
  Ca  Ca2  1  0.32586700  0.25000000  0.91416400  1.0
  Ca  Ca3  1  0.82586700  0.75000000  0.58583600  1.0
  Ni  Ni4  1  0.29966000  0.02432900  0.70021100  1.0
  Ni  Ni5  1  0.79966000  0.97567100  0.79978900  1.0
  Ni  Ni6  1  0.70034000  0.52432900  0.29978900  1.0
  Ni  Ni7  1  0.20034000  0.47567100  0.20021100  1.0
  Ni  Ni8  1  0.32400200  0.75000000  0.76159500  1.0
  Ni  Ni9  1  0.82400200  0.25000000  0.73840500  1.0
  Ni  Ni10  1  0.67599800  0.25000000  0.23840500  1.0
  Ni  Ni11  1  0.17599800  0.75000000  0.26159500  1.0
  Ni  Ni12  1  0.79966000  0.52432900  0.79978900  1.0
  Ni  Ni13  1  0.29966000  0.47567100  0.70021100  1.0
  Ni  Ni14  1  0.20034000  0.02432900  0.20021100  1.0
  Ni  Ni15  1  0.70034000  0.97567100  0.29978900  1.0
  O  O16  1  0.92809100  0.12058200  0.27268400  1.0
  O  O17  1  0.42809100  0.87941800  0.22731600  1.0
  O  O18  1  0.07190900  0.62058200  0.72731600  1.0
  O  O19  1  0.57190900  0.37941800  0.77268400  1.0
  O  O20  1  0.07190900  0.87941800  0.72731600  1.0
  O  O21  1  0.57190900  0.12058200  0.77268400  1.0
  O  O22  1  0.92809100  0.37941800  0.27268400  1.0
  O  O23  1  0.42809100  0.62058200  0.22731600  1.0
  O  O24  1  0.45175300  0.11987100  0.29398200  1.0
  O  O25  1  0.95175300  0.88012900  0.20601800  1.0
  O  O26  1  0.54824700  0.61987100  0.70601800  1.0
  O  O27  1  0.04824700  0.38012900  0.79398200  1.0
  O  O28  1  0.54824700  0.88012900  0.70601800  1.0
  O  O29  1  0.04824700  0.11987100  0.79398200  1.0
  O  O30  1  0.45175300  0.38012900  0.29398200  1.0
  O  O31  1  0.95175300  0.61987100  0.20601800  1.0
  O  O32  1  0.08897000  0.75000000  0.42383700  1.0
  O  O33  1  0.58897000  0.25000000  0.07616300  1.0
  O  O34  1  0.91103000  0.25000000  0.57616300  1.0
  O  O35  1  0.41103000  0.75000000  0.92383700  1.0
  O  O36  1  0.25938500  0.40620200  0.05919900  1.0
  O  O37  1  0.75938500  0.59379800  0.44080100  1.0
  O  O38  1  0.74061500  0.90620200  0.94080100  1.0
  O  O39  1  0.24061500  0.09379800  0.55919900  1.0
  O  O40  1  0.74061500  0.59379800  0.94080100  1.0
  O  O41  1  0.24061500  0.40620200  0.55919900  1.0
  O  O42  1  0.25938500  0.09379800  0.05919900  1.0
  O  O43  1  0.75938500  0.90620200  0.44080100  1.0