# generated using pymatgen
data_Ca5Mn2(NiO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38401965
_cell_length_b   6.38401965
_cell_length_c   6.38039489
_cell_angle_alpha   86.98034957
_cell_angle_beta   86.98034957
_cell_angle_gamma   93.38302609
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5Mn2(NiO6)2
_chemical_formula_sum   'Ca5 Mn2 Ni2 O12'
_cell_volume   258.81769278
_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  0.25556300  0.10914400  0.86503100  1.0
  Ca  Ca1  1  0.12258800  0.26306100  0.35665200  1.0
  Ca  Ca2  1  0.73693900  0.87741200  0.64334800  1.0
  Ca  Ca3  1  0.60942300  0.39057700  0.50000000  1.0
  Ca  Ca4  1  0.89085600  0.74443700  0.13496900  1.0
  Mn  Mn5  1  0.49970000  0.99656800  0.25210900  1.0
  Mn  Mn6  1  0.00343200  0.50030000  0.74789100  1.0
  Ni  Ni7  1  0.75169500  0.24830500  0.00000000  1.0
  Ni  Ni8  1  0.24936800  0.75063200  0.50000000  1.0
  O  O9  1  0.54922900  0.71993900  0.34987000  1.0
  O  O10  1  0.47926000  0.28577600  0.17075500  1.0
  O  O11  1  0.79622800  0.08239900  0.27841500  1.0
  O  O12  1  0.58936000  0.98501100  0.95895200  1.0
  O  O13  1  0.71422400  0.52074000  0.82924500  1.0
  O  O14  1  0.01498900  0.41064000  0.04104800  1.0
  O  O15  1  0.06267200  0.79156200  0.78058900  1.0
  O  O16  1  0.95497700  0.57497100  0.45916900  1.0
  O  O17  1  0.28006100  0.45077100  0.65013000  1.0
  O  O18  1  0.42502900  0.04502300  0.54083100  1.0
  O  O19  1  0.20843800  0.93732800  0.21941100  1.0
  O  O20  1  0.91760100  0.20377200  0.72158500  1.0