# generated using pymatgen
data_Ca4CrN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.90506058
_cell_length_b   6.02871160
_cell_length_c   8.78346950
_cell_angle_alpha   72.21114353
_cell_angle_beta   79.64468351
_cell_angle_gamma   68.40667421
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4CrN4
_chemical_formula_sum   'Ca8 Cr2 N8'
_cell_volume   276.04352396
_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  0.78626180  0.56872916  0.17136369  1.0
  Ca  Ca1  1  0.21373820  0.43127084  0.82863631  1.0
  Ca  Ca2  1  0.73292225  0.21736691  0.97527656  1.0
  Ca  Ca3  1  0.26707775  0.78263309  0.02472344  1.0
  Ca  Ca4  1  0.73175824  0.48398801  0.57225433  1.0
  Ca  Ca5  1  0.26824176  0.51601199  0.42774567  1.0
  Ca  Ca6  1  0.22677060  0.95990196  0.61431689  1.0
  Ca  Ca7  1  0.77322940  0.04009804  0.38568311  1.0
  Cr  Cr8  1  0.71608742  0.84753102  0.75428678  1.0
  Cr  Cr9  1  0.28391258  0.15246898  0.24571322  1.0
  N  N10  1  0.96461669  0.71076228  0.61163763  1.0
  N  N11  1  0.03538331  0.28923772  0.38836237  1.0
  N  N12  1  0.89162361  0.82393438  0.91577285  1.0
  N  N13  1  0.10837639  0.17606562  0.08422715  1.0
  N  N14  1  0.52577613  0.63869142  0.80283504  1.0
  N  N15  1  0.47422387  0.36130858  0.19716496  1.0
  N  N16  1  0.47264152  0.84185710  0.35045314  1.0
  N  N17  1  0.52735848  0.15814290  0.64954686  1.0