# generated using pymatgen
data_Nb4CuSiH2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15292271
_cell_length_b   5.15292186
_cell_length_c   5.15292290
_cell_angle_alpha   104.52180172
_cell_angle_beta   104.52181829
_cell_angle_gamma   119.90099416
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb4CuSiH2
_chemical_formula_sum   'Nb4 Cu1 Si1 H2'
_cell_volume   102.66861492
_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  0.16590975  0.66590975  0.83182050  1.0
  Nb  Nb1  1  0.83409025  0.33409025  0.16817950  1.0
  Nb  Nb2  1  0.33409025  0.16590975  0.50000000  1.0
  Nb  Nb3  1  0.66590975  0.83409025  0.50000000  1.0
  Cu  Cu4  1  0.25000000  0.25000000  0.00000000  1.0
  Si  Si5  1  0.75000000  0.75000000  0.00000000  1.0
  H  H6  1  0.75000000  0.25000000  0.50000000  1.0
  H  H7  1  0.25000000  0.75000000  0.50000000  1.0