# generated using pymatgen
data_Ca4ReN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09507489
_cell_length_b   6.03998802
_cell_length_c   8.95382858
_cell_angle_alpha   65.78163583
_cell_angle_beta   77.15044155
_cell_angle_gamma   69.40070623
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4ReN4
_chemical_formula_sum   'Ca8 Re2 N8'
_cell_volume   280.21754454
_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  0.75760200  0.62737200  0.15611500  1.0
  Ca  Ca1  1  0.24239800  0.37262800  0.84388500  1.0
  Ca  Ca2  1  0.73131000  0.24308800  0.98905500  1.0
  Ca  Ca3  1  0.26869000  0.75691200  0.01094500  1.0
  Ca  Ca4  1  0.73565500  0.45966900  0.58048300  1.0
  Ca  Ca5  1  0.26434500  0.54033100  0.41951700  1.0
  Ca  Ca6  1  0.21918700  0.95300500  0.61956800  1.0
  Ca  Ca7  1  0.78081300  0.04699500  0.38043200  1.0
  Re  Re8  1  0.71769900  0.84459700  0.75587600  1.0
  Re  Re9  1  0.28230100  0.15540300  0.24412400  1.0
  N  N10  1  0.96946400  0.67119900  0.63124300  1.0
  N  N11  1  0.03053600  0.32880100  0.36875700  1.0
  N  N12  1  0.90506500  0.91218900  0.86909700  1.0
  N  N13  1  0.09493500  0.08781100  0.13090300  1.0
  N  N14  1  0.50688800  0.61891800  0.78623700  1.0
  N  N15  1  0.49311200  0.38108200  0.21376300  1.0
  N  N16  1  0.51415700  0.84370500  0.34186800  1.0
  N  N17  1  0.48584300  0.15629500  0.65813200  1.0