# generated using pymatgen
data_Ca3ReN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.45011687
_cell_length_b   7.45309248
_cell_length_c   5.04941200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.93160527
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3ReN3
_chemical_formula_sum   'Ca6 Re2 N6'
_cell_volume   242.97966797
_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  0.89876000  0.64277100  0.25000000  1.0
  Ca  Ca1  1  0.74366500  0.10108000  0.25000000  1.0
  Ca  Ca2  1  0.35744700  0.25592200  0.25000000  1.0
  Ca  Ca3  1  0.10124000  0.35722900  0.75000000  1.0
  Ca  Ca4  1  0.25633500  0.89892000  0.75000000  1.0
  Ca  Ca5  1  0.64255300  0.74407800  0.75000000  1.0
  Re  Re6  1  0.66653100  0.33315500  0.75000000  1.0
  Re  Re7  1  0.33346900  0.66684500  0.25000000  1.0
  N  N8  1  0.89177900  0.60433000  0.75000000  1.0
  N  N9  1  0.71221400  0.10748800  0.75000000  1.0
  N  N10  1  0.39476200  0.28724200  0.75000000  1.0
  N  N11  1  0.10822100  0.39567000  0.25000000  1.0
  N  N12  1  0.28778600  0.89251200  0.25000000  1.0
  N  N13  1  0.60523800  0.71275800  0.25000000  1.0