# generated using pymatgen
data_Ca4IrN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15255069
_cell_length_b   5.99020432
_cell_length_c   8.69471361
_cell_angle_alpha   66.70043548
_cell_angle_beta   77.79691354
_cell_angle_gamma   70.34108733
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4IrN4
_chemical_formula_sum   'Ca8 Ir2 N8'
_cell_volume   276.01839410
_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  0.78226862  0.59235518  0.15023787  1.0
  Ca  Ca1  1  0.21773138  0.40764482  0.84976213  1.0
  Ca  Ca2  1  0.72303025  0.21610601  0.98677386  1.0
  Ca  Ca3  1  0.27696975  0.78389399  0.01322614  1.0
  Ca  Ca4  1  0.73367417  0.47966962  0.57001096  1.0
  Ca  Ca5  1  0.26632583  0.52033038  0.42998904  1.0
  Ca  Ca6  1  0.21151241  0.95504296  0.62014150  1.0
  Ca  Ca7  1  0.78848759  0.04495704  0.37985850  1.0
  Ir  Ir8  1  0.70959383  0.85252639  0.76040080  1.0
  Ir  Ir9  1  0.29040617  0.14747361  0.23959920  1.0
  N  N10  1  0.98207092  0.67017729  0.62479092  1.0
  N  N11  1  0.01792908  0.32982271  0.37520908  1.0
  N  N12  1  0.94703665  0.86188695  0.87971323  1.0
  N  N13  1  0.05296335  0.13811305  0.12028677  1.0
  N  N14  1  0.50917338  0.62058001  0.78982671  1.0
  N  N15  1  0.49082662  0.37941999  0.21017329  1.0
  N  N16  1  0.53355775  0.84022110  0.31847765  1.0
  N  N17  1  0.46644225  0.15977890  0.68152235  1.0