# generated using pymatgen
data_Ca5FeN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.90007100
_cell_length_b   7.34870900
_cell_length_c   5.85578700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5FeN4
_chemical_formula_sum   'Ca10 Fe2 N8'
_cell_volume   339.95960487
_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  0.55472100  0.50794200  0.24159800  1.0
  Ca  Ca1  1  0.94527900  0.50794200  0.24159800  1.0
  Ca  Ca2  1  0.55472100  0.99205800  0.24159800  1.0
  Ca  Ca3  1  0.94527900  0.99205800  0.24159800  1.0
  Ca  Ca4  1  0.44527900  0.49205800  0.75840200  1.0
  Ca  Ca5  1  0.05472100  0.49205800  0.75840200  1.0
  Ca  Ca6  1  0.44527900  0.00794200  0.75840200  1.0
  Ca  Ca7  1  0.05472100  0.00794200  0.75840200  1.0
  Ca  Ca8  1  0.75000000  0.75000000  0.68531400  1.0
  Ca  Ca9  1  0.25000000  0.25000000  0.31468600  1.0
  Fe  Fe10  1  0.75000000  0.25000000  0.68405900  1.0
  Fe  Fe11  1  0.25000000  0.75000000  0.31594100  1.0
  N  N12  1  0.75000000  0.02720600  0.89275100  1.0
  N  N13  1  0.75000000  0.47279400  0.89275100  1.0
  N  N14  1  0.25000000  0.97279400  0.10724900  1.0
  N  N15  1  0.25000000  0.52720600  0.10724900  1.0
  N  N16  1  0.47067700  0.75000000  0.49626600  1.0
  N  N17  1  0.02932300  0.75000000  0.49626600  1.0
  N  N18  1  0.52932300  0.25000000  0.50373400  1.0
  N  N19  1  0.97067700  0.25000000  0.50373400  1.0