# generated using pymatgen
data_Ca3MnNiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.40531844
_cell_length_b   6.40530848
_cell_length_c   6.40531004
_cell_angle_alpha   92.16063131
_cell_angle_beta   92.16103074
_cell_angle_gamma   92.16098034
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3MnNiO6
_chemical_formula_sum   'Ca6 Mn2 Ni2 O12'
_cell_volume   262.22217134
_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  0.25000100  0.61083600  0.88916500  1.0
  Ca  Ca1  1  0.38916500  0.11083600  0.74999900  1.0
  Ca  Ca2  1  0.11083600  0.74999900  0.38916400  1.0
  Ca  Ca3  1  0.74999900  0.38916500  0.11083500  1.0
  Ca  Ca4  1  0.61083500  0.88916500  0.25000100  1.0
  Ca  Ca5  1  0.88916400  0.25000100  0.61083600  1.0
  Mn  Mn6  1  0.50000300  0.50000100  0.50000200  1.0
  Mn  Mn7  1  0.99999600  0.99999600  0.99999900  1.0
  Ni  Ni8  1  0.74999900  0.75000000  0.74999900  1.0
  Ni  Ni9  1  0.25000000  0.25000100  0.24999900  1.0
  O  O10  1  0.54151500  0.21083000  0.42136600  1.0
  O  O11  1  0.45848400  0.78917100  0.57863200  1.0
  O  O12  1  0.78917300  0.57863400  0.45848400  1.0
  O  O13  1  0.57863400  0.45848600  0.78917000  1.0
  O  O14  1  0.71082600  0.04151700  0.92136700  1.0
  O  O15  1  0.04151500  0.92136700  0.71082900  1.0
  O  O16  1  0.07863300  0.28917100  0.95848600  1.0
  O  O17  1  0.95848500  0.07863300  0.28917100  1.0
  O  O18  1  0.28917400  0.95848500  0.07863300  1.0
  O  O19  1  0.42136600  0.54151400  0.21083000  1.0
  O  O20  1  0.21082700  0.42136600  0.54151500  1.0
  O  O21  1  0.92136700  0.71082900  0.04151500  1.0