# generated using pymatgen
data_ZrNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27124509
_cell_length_b   4.30320964
_cell_length_c   50.34073545
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi3
_chemical_formula_sum   'Zr10 Ni30'
_cell_volume   1141.89262979
_cell_formula_units_Z   10
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
  Zr  Zr1  1  0.500916  0.251419  0.332667  1
  Zr  Zr2  1  1.000916  0.751419  0.301555  1
  Zr  Zr3  1  1.000916  0.251419  0.423617  1
  Zr  Zr4  1  0.500916  0.751419  0.393616  1
  Zr  Zr5  1  0.500916  0.251419  0.514801  1
  Zr  Zr6  1  1.000916  0.751419  0.484536  1
  Zr  Zr7  1  1.000916  0.251419  0.605721  1
  Zr  Zr8  1  0.500916  0.751419  0.575720  1
  Zr  Zr9  1  0.500916  0.251419  0.697781  1
  Zr  Zr10  1  1.000916  0.751419  0.666669  1
  Ni  Ni11  1  0.750965  0.251419  0.288564  1
  Ni  Ni12  1  0.500916  0.751419  0.302819  1
  Ni  Ni13  1  0.757140  0.751419  0.347745  1
  Ni  Ni14  1  1.000916  0.251419  0.333375  1
  Ni  Ni15  1  0.250866  0.251419  0.288564  1
  Ni  Ni16  1  0.244692  0.751419  0.347745  1
  Ni  Ni17  1  0.247712  0.251419  0.377955  1
  Ni  Ni18  1  1.000916  0.751419  0.392783  1
  Ni  Ni19  1  0.254155  0.751419  0.439227  1
  Ni  Ni20  1  0.500916  0.251419  0.424255  1
  Ni  Ni21  1  0.754119  0.251419  0.377955  1
  Ni  Ni22  1  0.747677  0.751419  0.439227  1
  Ni  Ni23  1  0.747520  0.251419  0.469038  1
  Ni  Ni24  1  0.500916  0.751419  0.484075  1
  Ni  Ni25  1  0.754312  0.751419  0.530298  1
  Ni  Ni26  1  1.000916  0.251419  0.515262  1
  Ni  Ni27  1  0.254312  0.251419  0.469038  1
  Ni  Ni28  1  0.247520  0.751419  0.530298  1
  Ni  Ni29  1  0.247677  0.251419  0.560110  1
  Ni  Ni30  1  1.000916  0.751419  0.575081  1
  Ni  Ni31  1  0.254119  0.751419  0.621382  1
  Ni  Ni32  1  0.500916  0.251419  0.606554  1
  Ni  Ni33  1  0.754155  0.251419  0.560110  1
  Ni  Ni34  1  0.747712  0.751419  0.621382  1
  Ni  Ni35  1  0.744692  0.251419  0.651592  1
  Ni  Ni36  1  0.500916  0.751419  0.665961  1
  Ni  Ni37  1  0.750866  0.751419  0.710772  1
  Ni  Ni38  1  1.000916  0.251419  0.696518  1
  Ni  Ni39  1  0.257140  0.251419  0.651592  1
  Ni  Ni40  1  0.250965  0.751419  0.710772  1
