# generated using pymatgen
data_NbCrP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53608222
_cell_length_b   6.28845471
_cell_length_c   7.42136660
_cell_angle_alpha   90.00156999
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCrP
_chemical_formula_sum   'Nb4 Cr4 P4'
_cell_volume   165.02516561
_cell_formula_units_Z   4
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  0.25000000  0.53005180  0.32669837  1.0
  Nb  Nb1  1  0.25000000  0.03005973  0.17328682  1.0
  Nb  Nb2  1  0.75000000  0.96994027  0.82671318  1.0
  Nb  Nb3  1  0.75000000  0.46994820  0.67330163  1.0
  Cr  Cr4  1  0.75000000  0.35701760  0.06219922  1.0
  Cr  Cr5  1  0.25000000  0.14299176  0.56220191  1.0
  Cr  Cr6  1  0.75000000  0.85700824  0.43779809  1.0
  Cr  Cr7  1  0.25000000  0.64298240  0.93780078  1.0
  P  P8  1  0.25000000  0.26990336  0.87057300  1.0
  P  P9  1  0.25000000  0.76988006  0.62945783  1.0
  P  P10  1  0.75000000  0.73009664  0.12942700  1.0
  P  P11  1  0.75000000  0.23011994  0.37054217  1.0