# generated using pymatgen
data_Ca5ReN5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89397756
_cell_length_b   6.89397960
_cell_length_c   8.89274628
_cell_angle_alpha   79.89766137
_cell_angle_beta   79.89762649
_cell_angle_gamma   59.39651455
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5ReN5
_chemical_formula_sum   'Ca10 Re2 N10'
_cell_volume   356.28133975
_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  0.87598622  0.34732018  0.83125594  1.0
  Ca  Ca1  1  0.87429563  0.87429691  0.82526607  1.0
  Ca  Ca2  1  0.74115929  0.74115990  0.52002264  1.0
  Ca  Ca3  1  0.75856944  0.24483281  0.50743491  1.0
  Ca  Ca4  1  0.63790259  0.13253536  0.15716052  1.0
  Ca  Ca5  1  0.34731929  0.87598742  0.83125553  1.0
  Ca  Ca6  1  0.24483204  0.75857013  0.50743489  1.0
  Ca  Ca7  1  0.24441821  0.24441922  0.49838063  1.0
  Ca  Ca8  1  0.13815576  0.13815468  0.16077643  1.0
  Ca  Ca9  1  0.13253685  0.63790086  0.15715979  1.0
  Re  Re10  1  0.63069924  0.63069881  0.22260073  1.0
  Re  Re11  1  0.36854735  0.36854799  0.77620779  1.0
  N  N12  1  0.90769219  0.47137400  0.31692633  1.0
  N  N13  1  0.99688365  0.99688115  0.01580906  1.0
  N  N14  1  0.67635010  0.67634890  0.01436398  1.0
  N  N15  1  0.52944767  0.52944860  0.69022243  1.0
  N  N16  1  0.47137432  0.90769178  0.31692631  1.0
  N  N17  1  0.53613121  0.08873247  0.68036615  1.0
  N  N18  1  0.47357540  0.47357540  0.29596121  1.0
  N  N19  1  0.32441323  0.32441156  0.98683998  1.0
  N  N20  1  0.06326478  0.06326580  0.65306896  1.0
  N  N21  1  0.08873154  0.53613206  0.68036672  1.0