# generated using pymatgen
data_Ca2MnNiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41310802
_cell_length_b   6.41310802
_cell_length_c   6.29884644
_cell_angle_alpha   85.75791057
_cell_angle_beta   85.75791057
_cell_angle_gamma   93.10411063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2MnNiO6
_chemical_formula_sum   'Ca4 Mn2 Ni2 O12'
_cell_volume   257.17778239
_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  0.12166400  0.87833600  0.00000000  1.0
  Ca  Ca1  1  0.88804900  0.11195100  0.50000000  1.0
  Ca  Ca2  1  0.73901400  0.61301400  0.35697900  1.0
  Ca  Ca3  1  0.38698600  0.26098600  0.64302100  1.0
  Mn  Mn4  1  0.49839300  0.00002600  0.24883900  1.0
  Mn  Mn5  1  0.99997400  0.50160700  0.75116100  1.0
  Ni  Ni6  1  0.24527200  0.75472800  0.50000000  1.0
  Ni  Ni7  1  0.74825700  0.25174300  0.00000000  1.0
  O  O8  1  0.60680600  0.27988100  0.29363500  1.0
  O  O9  1  0.41674400  0.70944000  0.25381500  1.0
  O  O10  1  0.49689300  0.92599800  0.55059000  1.0
  O  O11  1  0.20020700  0.00917000  0.32783300  1.0
  O  O12  1  0.07400200  0.50310700  0.44941000  1.0
  O  O13  1  0.29056000  0.58325600  0.74618500  1.0
  O  O14  1  0.03734900  0.20799800  0.81992600  1.0
  O  O15  1  0.72011900  0.39319400  0.70636500  1.0
  O  O16  1  0.91032200  0.52507300  0.03685100  1.0
  O  O17  1  0.79200200  0.96265100  0.18007400  1.0
  O  O18  1  0.47492700  0.08967800  0.96314900  1.0
  O  O19  1  0.99083000  0.79979300  0.67216700  1.0