# generated using pymatgen
data_Ca4MnN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94184966
_cell_length_b   5.97619646
_cell_length_c   8.72718805
_cell_angle_alpha   71.63786219
_cell_angle_beta   79.17965575
_cell_angle_gamma   68.76651265
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4MnN4
_chemical_formula_sum   'Ca8 Mn2 N8'
_cell_volume   273.20213252
_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  0.79071972  0.56765711  0.16798401  1.0
  Ca  Ca1  1  0.20928028  0.43234289  0.83201599  1.0
  Ca  Ca2  1  0.72643842  0.21506854  0.97750786  1.0
  Ca  Ca3  1  0.27356158  0.78493146  0.02249214  1.0
  Ca  Ca4  1  0.72941941  0.48372094  0.57180300  1.0
  Ca  Ca5  1  0.27058059  0.51627906  0.42819700  1.0
  Ca  Ca6  1  0.23151302  0.95763466  0.61510474  1.0
  Ca  Ca7  1  0.76848698  0.04236534  0.38489526  1.0
  Mn  Mn8  1  0.72089870  0.84560252  0.75414901  1.0
  Mn  Mn9  1  0.27910130  0.15439748  0.24585099  1.0
  N  N10  1  0.96999089  0.70640648  0.61197981  1.0
  N  N11  1  0.03000911  0.29359352  0.38802019  1.0
  N  N12  1  0.91163163  0.82504275  0.91042363  1.0
  N  N13  1  0.08836837  0.17495725  0.08957637  1.0
  N  N14  1  0.52676189  0.63851315  0.80307655  1.0
  N  N15  1  0.47323811  0.36148685  0.19692345  1.0
  N  N16  1  0.48656712  0.83670046  0.34833787  1.0
  N  N17  1  0.51343288  0.16329954  0.65166213  1.0