# generated using pymatgen
data_NiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.16237058
_cell_length_b   5.91364562
_cell_length_c   4.96948799
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiP
_chemical_formula_sum   'Ni12 P12'
_cell_volume   298.64962151
_cell_formula_units_Z   12
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
  Ni  Ni0  1  0.44388200  0.85338300  0.88548200  1
  Ni  Ni1  1  0.44388200  0.14661700  0.88548200  1
  Ni  Ni2  1  0.55611800  0.14661700  0.38548200  1
  Ni  Ni3  1  0.55611800  0.85338300  0.38548200  1
  Ni  Ni4  1  0.94625100  0.00000000  0.35733300  1
  Ni  Ni5  1  0.05374900  0.00000000  0.85733300  1
  Ni  Ni6  1  0.94388200  0.35338300  0.88548200  1
  Ni  Ni7  1  0.94388200  0.64661700  0.88548200  1
  Ni  Ni8  1  0.05611800  0.64661700  0.38548200  1
  Ni  Ni9  1  0.05611800  0.35338300  0.38548200  1
  Ni  Ni10  1  0.44625100  0.50000000  0.35733300  1
  Ni  Ni11  1  0.55374900  0.50000000  0.85733300  1
  P  P12  1  0.18606000  0.83921300  0.55094100  1
  P  P13  1  0.18606000  0.16078700  0.55094100  1
  P  P14  1  0.81394000  0.16078700  0.05094100  1
  P  P15  1  0.81394000  0.83921300  0.05094100  1
  P  P16  1  0.68830600  0.00000000  0.69852100  1
  P  P17  1  0.31169400  0.00000000  0.19852100  1
  P  P18  1  0.68606000  0.33921300  0.55094100  1
  P  P19  1  0.68606000  0.66078700  0.55094100  1
  P  P20  1  0.31394000  0.66078700  0.05094100  1
  P  P21  1  0.31394000  0.33921300  0.05094100  1
  P  P22  1  0.18830600  0.50000000  0.69852100  1
  P  P23  1  0.81169400  0.50000000  0.19852100  1
