# generated using pymatgen
data_Ca6MnN5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.20582384
_cell_length_b   6.20581301
_cell_length_c   12.29515924
_cell_angle_alpha   90.00000118
_cell_angle_beta   90.00000276
_cell_angle_gamma   120.00011903
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca6MnN5
_chemical_formula_sum   'Ca12 Mn2 N10'
_cell_volume   410.07415399
_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  0.00000069  0.39464773  0.88111110  1.0
  Ca  Ca1  1  0.60535297  0.60535226  0.88111121  1.0
  Ca  Ca2  1  0.60535443  -0.00000015  0.11889090  1.0
  Ca  Ca3  1  0.39464546  0.00000024  0.61888706  1.0
  Ca  Ca4  1  0.39464559  0.39464608  0.38111070  1.0
  Ca  Ca5  1  0.60535481  -0.00000042  0.38111074  1.0
  Ca  Ca6  1  0.39464600  0.39464652  0.11889091  1.0
  Ca  Ca7  1  -0.00000059  0.60535496  0.11889087  1.0
  Ca  Ca8  1  0.00000071  0.39464720  0.61888728  1.0
  Ca  Ca9  1  0.60535316  0.60535292  0.61888719  1.0
  Ca  Ca10  1  0.39464617  0.00000028  0.88111122  1.0
  Ca  Ca11  1  -0.00000066  0.60535550  0.38111079  1.0
  Mn  Mn12  1  0.00001034  -0.00000142  0.74999825  1.0
  Mn  Mn13  1  -0.00000721  -0.00000815  0.25000182  1.0
  N  N14  1  0.71401591  0.00000022  0.74999856  1.0
  N  N15  1  0.28597928  0.28597834  0.74999846  1.0
  N  N16  1  0.28598040  -0.00000019  0.25000141  1.0
  N  N17  1  0.66666661  0.33333367  0.49999823  1.0
  N  N18  1  0.33333316  0.66666687  0.00000170  1.0
  N  N19  1  0.33333309  0.66666690  0.49999829  1.0
  N  N20  1  0.66666661  0.33333367  0.00000175  1.0
  N  N21  1  0.71402320  0.71402464  0.25000159  1.0
  N  N22  1  0.99999915  0.28598146  0.25000139  1.0
  N  N23  1  0.00000071  0.71402088  0.74999859  1.0