# generated using pymatgen
data_CaNi2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.85630744
_cell_length_b   8.34059409
_cell_length_c   7.26818233
_cell_angle_alpha   77.98184533
_cell_angle_beta   55.86025616
_cell_angle_gamma   46.15789851
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNi2(PO5)2
_chemical_formula_sum   'Ca2 Ni4 P4 O20'
_cell_volume   339.98373329
_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  0.75000000  0.75000000  0.75000000  1.0
  Ca  Ca1  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni2  1  0.12500000  0.12500000  0.62500000  1.0
  Ni  Ni3  1  0.12500000  0.62500000  0.12500000  1.0
  Ni  Ni4  1  0.12500000  0.12500000  0.12500000  1.0
  Ni  Ni5  1  0.62500000  0.12500000  0.12500000  1.0
  P  P6  1  0.29351600  0.29351600  0.70648400  1.0
  P  P7  1  0.95648400  0.95648400  0.54351600  1.0
  P  P8  1  0.70648400  0.70648400  0.29351600  1.0
  P  P9  1  0.54351600  0.54351600  0.95648400  1.0
  O  O10  1  0.45777900  0.83052500  0.51535500  1.0
  O  O11  1  0.95765900  0.95765900  0.04234100  1.0
  O  O12  1  0.40985500  0.56115600  0.88974100  1.0
  O  O13  1  0.73464500  0.05365800  0.79222200  1.0
  O  O14  1  0.83052500  0.45777800  0.19634200  1.0
  O  O15  1  0.84014500  0.68884400  0.36025900  1.0
  O  O16  1  0.29234100  0.29234100  0.20765900  1.0
  O  O17  1  0.04234100  0.04234100  0.95765900  1.0
  O  O18  1  0.20765900  0.20765900  0.29234100  1.0
  O  O19  1  0.79222100  0.41947500  0.73464500  1.0
  O  O20  1  0.19634200  0.51535500  0.83052500  1.0
  O  O21  1  0.05365800  0.73464500  0.41947500  1.0
  O  O22  1  0.51535500  0.19634200  0.45777800  1.0
  O  O23  1  0.56115600  0.40985500  0.13924700  1.0
  O  O24  1  0.11075300  0.36025900  0.68884400  1.0
  O  O25  1  0.88974100  0.13924700  0.40985500  1.0
  O  O26  1  0.36025900  0.11075300  0.84014500  1.0
  O  O27  1  0.13924700  0.88974100  0.56115600  1.0
  O  O28  1  0.41947500  0.79222100  0.05365800  1.0
  O  O29  1  0.68884400  0.84014500  0.11075300  1.0