# generated using pymatgen
data_Ca7IrN6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37061700
_cell_length_b   9.06619621
_cell_length_c   9.06619621
_cell_angle_alpha   80.96650375
_cell_angle_beta   69.43076587
_cell_angle_gamma   69.43076587
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca7IrN6
_chemical_formula_sum   'Ca14 Ir2 N12'
_cell_volume   458.66442747
_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  0.27568100  0.95425000  0.04575000  1.0
  Ca  Ca1  1  0.72431900  0.04575000  0.95425000  1.0
  Ca  Ca2  1  0.22431900  0.45425000  0.54575000  1.0
  Ca  Ca3  1  0.77568100  0.54575000  0.45425000  1.0
  Ca  Ca4  1  0.75923400  0.14976500  0.58978400  1.0
  Ca  Ca5  1  0.50121700  0.58978400  0.14976500  1.0
  Ca  Ca6  1  0.74076600  0.91021600  0.35023500  1.0
  Ca  Ca7  1  0.99878300  0.35023500  0.91021600  1.0
  Ca  Ca8  1  0.24076600  0.85023500  0.41021600  1.0
  Ca  Ca9  1  0.49878300  0.41021600  0.85023500  1.0
  Ca  Ca10  1  0.25923400  0.08978400  0.64976500  1.0
  Ca  Ca11  1  0.00121700  0.64976500  0.08978400  1.0
  Ca  Ca12  1  0.25000000  0.25000000  0.25000000  1.0
  Ca  Ca13  1  0.75000000  0.75000000  0.75000000  1.0
  Ir  Ir14  1  0.75000000  0.25000000  0.25000000  1.0
  Ir  Ir15  1  0.25000000  0.75000000  0.75000000  1.0
  N  N16  1  0.00256500  0.07746600  0.31432500  1.0
  N  N17  1  0.60564400  0.31432500  0.07746600  1.0
  N  N18  1  0.49743500  0.18567500  0.42253400  1.0
  N  N19  1  0.89435600  0.42253400  0.18567500  1.0
  N  N20  1  0.99743500  0.92253400  0.68567500  1.0
  N  N21  1  0.39435600  0.68567500  0.92253400  1.0
  N  N22  1  0.50256500  0.81432500  0.57746600  1.0
  N  N23  1  0.10564400  0.57746600  0.81432500  1.0
  N  N24  1  0.89364000  0.35119700  0.64880300  1.0
  N  N25  1  0.10635900  0.64880300  0.35119700  1.0
  N  N26  1  0.60636000  0.85119700  0.14880300  1.0
  N  N27  1  0.39364100  0.14880300  0.85119700  1.0