# generated using pymatgen
data_Ca2ReN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06534937
_cell_length_b   10.75755626
_cell_length_c   12.34777212
_cell_angle_alpha   89.98624235
_cell_angle_beta   89.98780477
_cell_angle_gamma   27.52523426
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2ReN3
_chemical_formula_sum   'Ca8 Re4 N12'
_cell_volume   372.33243804
_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  0.00000343  0.44903100  0.63152956  1.0
  Ca  Ca1  1  0.99999657  0.55096900  0.36847044  1.0
  Ca  Ca2  1  0.99999775  0.05088427  0.13153188  1.0
  Ca  Ca3  1  0.00000225  0.94911573  0.86846812  1.0
  Ca  Ca4  1  0.99999474  0.14140080  0.58101063  1.0
  Ca  Ca5  1  0.00000526  0.85859920  0.41898937  1.0
  Ca  Ca6  1  0.00000610  0.35853302  0.08105133  1.0
  Ca  Ca7  1  0.99999390  0.64146698  0.91894867  1.0
  Re  Re8  1  0.99999504  0.25959894  0.84574439  1.0
  Re  Re9  1  0.00000496  0.74040106  0.15425561  1.0
  Re  Re10  1  0.00000424  0.24049907  0.34570535  1.0
  Re  Re11  1  0.99999576  0.75950093  0.65429465  1.0
  N  N12  1  0.00000376  0.15349538  0.96845381  1.0
  N  N13  1  0.99999624  0.84650462  0.03154619  1.0
  N  N14  1  0.99999694  0.34650386  0.46842201  1.0
  N  N15  1  0.00000306  0.65349614  0.53157799  1.0
  N  N16  1  0.99999415  0.42777629  0.87619733  1.0
  N  N17  1  0.00000585  0.57222371  0.12380267  1.0
  N  N18  1  0.00000500  0.07227860  0.37619418  1.0
  N  N19  1  0.99999500  0.92772140  0.62380582  1.0
  N  N20  1  0.50019833  0.46411714  0.74994473  1.0
  N  N21  1  0.50021631  0.03567475  0.25005864  1.0
  N  N22  1  0.49980167  0.53588286  0.25005527  1.0
  N  N23  1  0.49978369  0.96432525  0.74994136  1.0