# generated using pymatgen
data_PmCu2Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97043853
_cell_length_b   4.97124234
_cell_length_c   3.91670373
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.02891066
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PmCu2Ni3
_chemical_formula_sum   'Pm1 Cu2 Ni3'
_cell_volume   83.83733065
_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
  Pm  Pm0  1  0.00000021  0.00000158  0.00000000  1.0
  Cu  Cu1  1  0.33333904  0.33342523  0.00000000  1.0
  Cu  Cu2  1  0.66666292  0.66657671  0.00000000  1.0
  Ni  Ni3  1  0.50021202  0.99999929  0.49999900  1.0
  Ni  Ni4  1  0.00000201  0.49978037  0.49999900  1.0
  Ni  Ni5  1  0.49977880  0.50022082  0.49999900  1.0