# generated using pymatgen
data_Ca2YbReN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61998467
_cell_length_b   8.53511151
_cell_length_c   5.02804878
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   130.13369682
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2YbReN3
_chemical_formula_sum   'Ca4 Yb2 Re2 N6'
_cell_volume   217.20372403
_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  0.21564535  0.10786181  0.25000000  1.0
  Ca  Ca1  1  0.23409512  0.40353468  0.75000000  1.0
  Ca  Ca2  1  0.23411585  0.83061381  0.75000000  1.0
  Ca  Ca3  1  0.78754910  0.89374758  0.75000000  1.0
  Yb  Yb4  1  0.76634824  0.59918907  0.25000000  1.0
  Yb  Yb5  1  0.76623882  0.16708524  0.25000000  1.0
  Re  Re6  1  0.63391747  0.31691515  0.75000000  1.0
  Re  Re7  1  0.36642613  0.68325247  0.25000000  1.0
  N  N8  1  0.74603317  0.58181675  0.75000000  1.0
  N  N9  1  0.74598166  0.16408080  0.75000000  1.0
  N  N10  1  0.25489751  0.12748479  0.75000000  1.0
  N  N11  1  0.25136652  0.41732268  0.25000000  1.0
  N  N12  1  0.25140603  0.83416388  0.25000000  1.0
  N  N13  1  0.74598102  0.87293329  0.25000000  1.0