# generated using pymatgen
data_NbCuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57668469
_cell_length_b   3.57668469
_cell_length_c   13.92232600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001273
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCuSe2
_chemical_formula_sum   'Nb2 Cu2 Se4'
_cell_volume   154.24236860
_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
  Nb  Nb0  1  0.33333300  0.66666700  0.24685300  1.0
  Nb  Nb1  1  0.66666700  0.33333300  0.74685300  1.0
  Cu  Cu2  1  0.33333300  0.66666700  0.46121400  1.0
  Cu  Cu3  1  0.66666700  0.33333300  0.96121400  1.0
  Se  Se4  1  0.33333300  0.66666700  0.86808500  1.0
  Se  Se5  1  0.66666700  0.33333300  0.12984800  1.0
  Se  Se6  1  0.66666700  0.33333300  0.36808500  1.0
  Se  Se7  1  0.33333300  0.66666700  0.62984800  1.0