# generated using pymatgen
data_Ca3Tb(ReN3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.33313143
_cell_length_b   7.33313082
_cell_length_c   6.21493951
_cell_angle_alpha   74.81188871
_cell_angle_beta   74.81189511
_cell_angle_gamma   83.80943157
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Tb(ReN3)4
_chemical_formula_sum   'Ca3 Tb1 Re4 N12'
_cell_volume   310.99204250
_cell_formula_units_Z   1
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  0.30139012  0.69860988  0.75000000  1.0
  Ca  Ca1  1  0.08747813  0.91252187  0.25000000  1.0
  Ca  Ca2  1  0.69929494  0.30070506  0.25000000  1.0
  Tb  Tb3  1  0.91111931  0.08888069  0.75000000  1.0
  Re  Re4  1  0.62142459  0.79875934  0.26304735  1.0
  Re  Re5  1  0.20124066  0.37857541  0.23695265  1.0
  Re  Re6  1  0.37956475  0.20218118  0.73396685  1.0
  Re  Re7  1  0.79781882  0.62043525  0.76603315  1.0
  N  N8  1  0.35101534  0.34531462  0.95314720  1.0
  N  N9  1  0.00684243  0.22425777  0.35059767  1.0
  N  N10  1  0.77574223  0.99315757  0.14940233  1.0
  N  N11  1  0.22021859  0.01331125  0.83554345  1.0
  N  N12  1  0.64577105  0.64813255  0.04907998  1.0
  N  N13  1  0.88480062  0.38297244  0.82978560  1.0
  N  N14  1  0.11950159  0.61349229  0.16598571  1.0
  N  N15  1  0.98668875  0.77978141  0.66445655  1.0
  N  N16  1  0.38650771  0.88049841  0.33401429  1.0
  N  N17  1  0.65468538  0.64898466  0.54685280  1.0
  N  N18  1  0.61702756  0.11519938  0.67021440  1.0
  N  N19  1  0.35186745  0.35422895  0.45092002  1.0