# generated using pymatgen
data_ScAlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11345892
_cell_length_b   5.11345892
_cell_length_c   8.18618700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.21885851
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAlNi
_chemical_formula_sum   'Sc4 Al4 Ni4'
_cell_volume   186.81285663
_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
  Sc  Sc0  1  0.33297900  0.66702100  0.20310700  1.0
  Sc  Sc1  1  0.66899800  0.33100200  0.32536000  1.0
  Sc  Sc2  1  0.66899800  0.33100200  0.67464000  1.0
  Sc  Sc3  1  0.33297900  0.66702100  0.79689300  1.0
  Al  Al4  1  0.99392100  0.00607900  0.26394700  1.0
  Al  Al5  1  0.99392100  0.00607900  0.73605300  1.0
  Al  Al6  1  0.83185400  0.65620600  0.00000000  1.0
  Al  Al7  1  0.34379400  0.16814600  0.00000000  1.0
  Ni  Ni8  1  0.83333800  0.16666200  0.00000000  1.0
  Ni  Ni9  1  0.17378900  0.34502300  0.50000000  1.0
  Ni  Ni10  1  0.65497700  0.82621100  0.50000000  1.0
  Ni  Ni11  1  0.17040200  0.82959800  0.50000000  1.0