# generated using pymatgen
data_Ca6OsRuN6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.70109906
_cell_length_b   6.70108572
_cell_length_c   4.99845493
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.89711669
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca6OsRuN6
_chemical_formula_sum   'Ca6 Os1 Ru1 N6'
_cell_volume   220.40651517
_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  0.66938713  0.90268952  0.75000000  1.0
  Ca  Ca1  1  0.39357185  0.60642715  0.25000000  1.0
  Ca  Ca2  1  0.90231051  0.66799660  0.25000000  1.0
  Ca  Ca3  1  0.60579810  0.39420290  0.75000000  1.0
  Ca  Ca4  1  0.33200440  0.09769149  0.25000000  1.0
  Ca  Ca5  1  0.09730848  0.33061187  0.75000000  1.0
  Os  Os6  1  0.19066566  0.80933534  0.75000000  1.0
  Ru  Ru7  1  0.80939713  0.19060287  0.25000000  1.0
  N  N8  1  0.67220086  0.92000256  0.25000000  1.0
  N  N9  1  0.37749416  0.62250484  0.75000000  1.0
  N  N10  1  0.62268428  0.37731572  0.25000000  1.0
  N  N11  1  0.91898824  0.67181025  0.75000000  1.0
  N  N12  1  0.32818875  0.08100976  0.75000000  1.0
  N  N13  1  0.07999844  0.32779914  0.25000000  1.0