# generated using pymatgen
data_Ca5(OsN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.29859000
_cell_length_b   8.29859000
_cell_length_c   12.21314900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5(OsN2)2
_chemical_formula_sum   'Ca20 Os8 N16'
_cell_volume   841.07799793
_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
  Ca  Ca0  1  0.75000000  0.75000000  0.33298400  1.0
  Ca  Ca1  1  0.75000000  0.75000000  0.83298400  1.0
  Ca  Ca2  1  0.25000000  0.25000000  0.66701600  1.0
  Ca  Ca3  1  0.25000000  0.25000000  0.16701600  1.0
  Ca  Ca4  1  0.13215500  0.57224100  0.40123900  1.0
  Ca  Ca5  1  0.36784500  0.57224100  0.90123900  1.0
  Ca  Ca6  1  0.13215500  0.92775900  0.90123900  1.0
  Ca  Ca7  1  0.36784500  0.92775900  0.40123900  1.0
  Ca  Ca8  1  0.57224100  0.13215500  0.90123900  1.0
  Ca  Ca9  1  0.92775900  0.13215500  0.40123900  1.0
  Ca  Ca10  1  0.57224100  0.36784500  0.40123900  1.0
  Ca  Ca11  1  0.92775900  0.36784500  0.90123900  1.0
  Ca  Ca12  1  0.86784500  0.42775900  0.59876100  1.0
  Ca  Ca13  1  0.63215500  0.42775900  0.09876100  1.0
  Ca  Ca14  1  0.86784500  0.07224100  0.09876100  1.0
  Ca  Ca15  1  0.63215500  0.07224100  0.59876100  1.0
  Ca  Ca16  1  0.42775900  0.86784500  0.09876100  1.0
  Ca  Ca17  1  0.07224100  0.86784500  0.59876100  1.0
  Ca  Ca18  1  0.42775900  0.63215500  0.59876100  1.0
  Ca  Ca19  1  0.07224100  0.63215500  0.09876100  1.0
  Os  Os20  1  0.09541200  0.90458800  0.25000000  1.0
  Os  Os21  1  0.40458800  0.90458800  0.75000000  1.0
  Os  Os22  1  0.09541200  0.59541200  0.75000000  1.0
  Os  Os23  1  0.40458800  0.59541200  0.25000000  1.0
  Os  Os24  1  0.90458800  0.09541200  0.75000000  1.0
  Os  Os25  1  0.59541200  0.09541200  0.25000000  1.0
  Os  Os26  1  0.90458800  0.40458800  0.25000000  1.0
  Os  Os27  1  0.59541200  0.40458800  0.75000000  1.0
  N  N28  1  0.64128700  0.05378700  0.39726100  1.0
  N  N29  1  0.85871300  0.05378700  0.89726100  1.0
  N  N30  1  0.64128700  0.44621300  0.89726100  1.0
  N  N31  1  0.85871300  0.44621300  0.39726100  1.0
  N  N32  1  0.05378700  0.64128700  0.89726100  1.0
  N  N33  1  0.44621300  0.64128700  0.39726100  1.0
  N  N34  1  0.05378700  0.85871300  0.39726100  1.0
  N  N35  1  0.44621300  0.85871300  0.89726100  1.0
  N  N36  1  0.35871300  0.94621300  0.60273900  1.0
  N  N37  1  0.14128700  0.94621300  0.10273900  1.0
  N  N38  1  0.35871300  0.55378700  0.10273900  1.0
  N  N39  1  0.14128700  0.55378700  0.60273900  1.0
  N  N40  1  0.94621300  0.35871300  0.10273900  1.0
  N  N41  1  0.55378700  0.35871300  0.60273900  1.0
  N  N42  1  0.94621300  0.14128700  0.60273900  1.0
  N  N43  1  0.55378700  0.14128700  0.10273900  1.0