# generated using pymatgen
data_Sr2CaNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.27782000
_cell_length_b   8.27782000
_cell_length_c   8.64406300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CaNbO6
_chemical_formula_sum   'Sr8 Ca4 Nb4 O24'
_cell_volume   592.31111227
_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
  Sr  Sr0  1  0.24990700  0.25003800  0.24777200  1.0
  Sr  Sr1  1  0.75009300  0.74996200  0.24777200  1.0
  Sr  Sr2  1  0.25003800  0.75009300  0.75222800  1.0
  Sr  Sr3  1  0.74996200  0.24990700  0.75222800  1.0
  Sr  Sr4  1  0.25016500  0.75072500  0.24824700  1.0
  Sr  Sr5  1  0.74983500  0.24927500  0.24824700  1.0
  Sr  Sr6  1  0.75072500  0.74983500  0.75175300  1.0
  Sr  Sr7  1  0.24927500  0.25016500  0.75175300  1.0
  Ca  Ca8  1  0.00000000  0.50000000  0.00108700  1.0
  Ca  Ca9  1  0.50000000  0.00000000  0.99891300  1.0
  Ca  Ca10  1  0.50000000  0.50000000  0.50000000  1.0
  Ca  Ca11  1  0.00000000  0.00000000  0.50000000  1.0
  Nb  Nb12  1  0.00000000  0.00000000  0.00000000  1.0
  Nb  Nb13  1  0.50000000  0.50000000  0.00000000  1.0
  Nb  Nb14  1  0.00000000  0.50000000  0.50083300  1.0
  Nb  Nb15  1  0.50000000  0.00000000  0.49916700  1.0
  O  O16  1  0.26916300  0.07911700  0.49716200  1.0
  O  O17  1  0.73083700  0.92088300  0.49716200  1.0
  O  O18  1  0.07911700  0.73083700  0.50283800  1.0
  O  O19  1  0.92088300  0.26916300  0.50283800  1.0
  O  O20  1  0.00000000  0.50000000  0.73534700  1.0
  O  O21  1  0.50000000  0.00000000  0.26465300  1.0
  O  O22  1  0.00000000  0.00000000  0.23466300  1.0
  O  O23  1  0.00000000  0.00000000  0.76533700  1.0
  O  O24  1  0.26792900  0.42635600  0.99998700  1.0
  O  O25  1  0.73207100  0.57364400  0.99998700  1.0
  O  O26  1  0.42635600  0.73207100  0.00001300  1.0
  O  O27  1  0.57364400  0.26792900  0.00001300  1.0
  O  O28  1  0.23120800  0.07522800  0.99874400  1.0
  O  O29  1  0.76879200  0.92477200  0.99874400  1.0
  O  O30  1  0.07522800  0.76879200  0.00125600  1.0
  O  O31  1  0.92477200  0.23120800  0.00125600  1.0
  O  O32  1  0.50000000  0.50000000  0.23411200  1.0
  O  O33  1  0.50000000  0.50000000  0.76588800  1.0
  O  O34  1  0.00000000  0.50000000  0.26803300  1.0
  O  O35  1  0.50000000  0.00000000  0.73196700  1.0
  O  O36  1  0.23069900  0.42093600  0.50177500  1.0
  O  O37  1  0.76930100  0.57906400  0.50177500  1.0
  O  O38  1  0.42093600  0.76930100  0.49822500  1.0
  O  O39  1  0.57906400  0.23069900  0.49822500  1.0