# generated using pymatgen
data_Cr2NiSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58649620
_cell_length_b   6.58649620
_cell_length_c   6.29379294
_cell_angle_alpha   63.66973875
_cell_angle_beta   63.66973875
_cell_angle_gamma   31.78326067
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2NiSe4
_chemical_formula_sum   'Cr2 Ni1 Se4'
_cell_volume   127.60482550
_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
  Cr  Cr0  1  0.74003700  0.74003700  0.28097800  1.0
  Cr  Cr1  1  0.25996300  0.25996300  0.71902200  1.0
  Ni  Ni2  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se3  1  0.88362800  0.88362800  0.44834500  1.0
  Se  Se4  1  0.11637200  0.11637200  0.55165500  1.0
  Se  Se5  1  0.63213000  0.63213000  0.02520900  1.0
  Se  Se6  1  0.36787000  0.36787000  0.97479100  1.0