# generated using pymatgen
data_Nb2CuSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53913541
_cell_length_b   3.53913541
_cell_length_c   13.90929100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998894
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CuSe4
_chemical_formula_sum   'Nb2 Cu1 Se4'
_cell_volume   150.87942894
_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
  Nb  Nb0  1  0.00000000  0.00000000  0.25372100  1.0
  Nb  Nb1  1  0.66666700  0.33333300  0.74894000  1.0
  Cu  Cu2  1  0.00000000  0.00000000  0.03658400  1.0
  Se  Se3  1  0.00000000  0.00000000  0.63212500  1.0
  Se  Se4  1  0.66666700  0.33333300  0.37167800  1.0
  Se  Se5  1  0.66666700  0.33333300  0.13231800  1.0
  Se  Se6  1  0.00000000  0.00000000  0.86863500  1.0