# generated using pymatgen
data_Ca2OsN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07751997
_cell_length_b   10.80390224
_cell_length_c   12.04670500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   27.27199430
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2OsN3
_chemical_formula_sum   'Ca8 Os4 N12'
_cell_volume   362.44720979
_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  0.00000000  0.45147900  0.64052000  1.0
  Ca  Ca1  1  0.00000000  0.54852100  0.35948000  1.0
  Ca  Ca2  1  0.00000000  0.04852100  0.14052000  1.0
  Ca  Ca3  1  0.00000000  0.95147900  0.85948000  1.0
  Ca  Ca4  1  0.00000000  0.13747000  0.57627100  1.0
  Ca  Ca5  1  0.00000000  0.86253000  0.42372900  1.0
  Ca  Ca6  1  0.00000000  0.36253000  0.07627100  1.0
  Ca  Ca7  1  0.00000000  0.63747000  0.92372900  1.0
  Os  Os8  1  0.00000000  0.25536800  0.84469600  1.0
  Os  Os9  1  0.00000000  0.74463300  0.15530400  1.0
  Os  Os10  1  0.00000000  0.24463300  0.34469600  1.0
  Os  Os11  1  0.00000000  0.75536700  0.65530400  1.0
  N  N12  1  0.00000000  0.15414900  0.97260400  1.0
  N  N13  1  0.00000000  0.84585100  0.02739600  1.0
  N  N14  1  0.00000000  0.34585100  0.47260400  1.0
  N  N15  1  0.00000000  0.65414900  0.52739600  1.0
  N  N16  1  0.00000000  0.43021100  0.86508800  1.0
  N  N17  1  0.00000000  0.56978900  0.13491200  1.0
  N  N18  1  0.00000000  0.06978900  0.36508800  1.0
  N  N19  1  0.00000000  0.93021100  0.63491200  1.0
  N  N20  1  0.50000000  0.45547600  0.75000000  1.0
  N  N21  1  0.50000000  0.04452400  0.25000000  1.0
  N  N22  1  0.50000000  0.54452400  0.25000000  1.0
  N  N23  1  0.50000000  0.95547600  0.75000000  1.0