# generated using pymatgen
data_Ca7ReN6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45115100
_cell_length_b   9.06422600
_cell_length_c   9.06422600
_cell_angle_alpha   79.89473098
_cell_angle_beta   69.15397066
_cell_angle_gamma   69.15397066
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca7ReN6
_chemical_formula_sum   'Ca14 Re2 N12'
_cell_volume   462.18398428
_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  0.27123000  0.95906000  0.04094000  1.0
  Ca  Ca1  1  0.72877000  0.04094000  0.95906000  1.0
  Ca  Ca2  1  0.22877000  0.45906000  0.54094000  1.0
  Ca  Ca3  1  0.77123000  0.54094000  0.45906000  1.0
  Ca  Ca4  1  0.75775100  0.14927600  0.59496600  1.0
  Ca  Ca5  1  0.49800600  0.59496600  0.14927600  1.0
  Ca  Ca6  1  0.74224900  0.90503400  0.35072400  1.0
  Ca  Ca7  1  0.00199400  0.35072400  0.90503400  1.0
  Ca  Ca8  1  0.24224900  0.85072400  0.40503400  1.0
  Ca  Ca9  1  0.50199400  0.40503400  0.85072400  1.0
  Ca  Ca10  1  0.25775100  0.09496600  0.64927600  1.0
  Ca  Ca11  1  0.99800600  0.64927600  0.09496600  1.0
  Ca  Ca12  1  0.25000000  0.25000000  0.25000000  1.0
  Ca  Ca13  1  0.75000000  0.75000000  0.75000000  1.0
  Re  Re14  1  0.75000000  0.25000000  0.25000000  1.0
  Re  Re15  1  0.25000000  0.75000000  0.75000000  1.0
  N  N16  1  0.00230000  0.08255600  0.30656400  1.0
  N  N17  1  0.60857900  0.30656400  0.08255600  1.0
  N  N18  1  0.49770000  0.19343600  0.41744400  1.0
  N  N19  1  0.89142100  0.41744400  0.19343600  1.0
  N  N20  1  0.99770000  0.91744400  0.69343600  1.0
  N  N21  1  0.39142100  0.69343600  0.91744400  1.0
  N  N22  1  0.50230000  0.80656400  0.58255600  1.0
  N  N23  1  0.10857900  0.58255600  0.80656400  1.0
  N  N24  1  0.90233600  0.34531100  0.65468900  1.0
  N  N25  1  0.09766400  0.65468900  0.34531100  1.0
  N  N26  1  0.59766400  0.84531100  0.15468900  1.0
  N  N27  1  0.40233600  0.15468900  0.84531100  1.0