# generated using pymatgen
data_MgNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.00496091
_cell_length_b   4.25894949
_cell_length_c   4.25249549
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNi
_chemical_formula_sum   'Mg2 Ni2'
_cell_volume   54.42333835
_cell_formula_units_Z   2
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
  Mg  Mg0  1  -0.00000000  0.25059238  0.25000000  1.0
  Mg  Mg1  1  -0.00000000  0.74940762  0.75000000  1.0
  Ni  Ni2  1  0.50000000  0.24909226  0.75000000  1.0
  Ni  Ni3  1  0.50000000  0.75090774  0.25000000  1.0