# generated using pymatgen
data_Ca6CrReN6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67581570
_cell_length_b   6.67581581
_cell_length_c   5.04438022
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.71498744
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca6CrReN6
_chemical_formula_sum   'Ca6 Cr1 Re1 N6'
_cell_volume   220.89070072
_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  0.59899684  0.83368038  0.25000000  1.0
  Ca  Ca1  1  0.89300865  0.10699135  0.75000000  1.0
  Ca  Ca2  1  0.83162796  0.59752239  0.75000000  1.0
  Ca  Ca3  1  0.10598148  0.89401852  0.25000000  1.0
  Ca  Ca4  1  0.40247761  0.16837204  0.75000000  1.0
  Ca  Ca5  1  0.16631962  0.40100316  0.25000000  1.0
  Cr  Cr6  1  0.69328371  0.30671629  0.25000000  1.0
  Re  Re7  1  0.31198557  0.68801443  0.75000000  1.0
  N  N8  1  0.57831271  0.82958837  0.75000000  1.0
  N  N9  1  0.87080231  0.12919769  0.25000000  1.0
  N  N10  1  0.12135228  0.87864772  0.75000000  1.0
  N  N11  1  0.82036281  0.56492318  0.25000000  1.0
  N  N12  1  0.43507682  0.17963719  0.25000000  1.0
  N  N13  1  0.17041163  0.42168729  0.75000000  1.0