# generated using pymatgen
data_Ca6GaN5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30129471
_cell_length_b   6.30129412
_cell_length_c   12.16808912
_cell_angle_alpha   90.00000701
_cell_angle_beta   90.00003389
_cell_angle_gamma   119.99995384
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca6GaN5
_chemical_formula_sum   'Ca12 Ga2 N10'
_cell_volume   418.42031163
_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  0.00000027  0.40931162  0.87715780  1.0
  Ca  Ca1  1  0.59068798  0.59068832  0.87715839  1.0
  Ca  Ca2  1  0.59068799  -0.00000014  0.12284196  1.0
  Ca  Ca3  1  0.40932097  0.00000047  0.62281672  1.0
  Ca  Ca4  1  0.40932023  0.40932101  0.37718334  1.0
  Ca  Ca5  1  0.59067894  -0.00000028  0.37718341  1.0
  Ca  Ca6  1  0.40931148  0.40931155  0.12284237  1.0
  Ca  Ca7  1  -0.00000003  0.59068834  0.12284216  1.0
  Ca  Ca8  1  0.00000034  0.40932114  0.62281650  1.0
  Ca  Ca9  1  0.59067900  0.59067859  0.62281676  1.0
  Ca  Ca10  1  0.40931185  0.00000054  0.87715790  1.0
  Ca  Ca11  1  -0.00000054  0.59067862  0.37718333  1.0
  Ga  Ga12  1  0.00000102  0.00000096  0.74995991  1.0
  Ga  Ga13  1  -0.00000111  -0.00000112  0.25004022  1.0
  N  N14  1  0.70358292  0.00000029  0.74997866  1.0
  N  N15  1  0.29641697  0.29641640  0.74997856  1.0
  N  N16  1  0.29641783  -0.00000006  0.25002141  1.0
  N  N17  1  0.66666630  0.33333327  0.49999992  1.0
  N  N18  1  0.33333313  0.66666688  0.00000011  1.0
  N  N19  1  0.33333310  0.66666678  0.49999985  1.0
  N  N20  1  0.66666689  0.33333373  0.00000015  1.0
  N  N21  1  0.70358319  0.70358244  0.25002218  1.0
  N  N22  1  0.00000027  0.29641761  0.25002146  1.0
  N  N23  1  0.00000001  0.70358304  0.74997793  1.0