# generated using pymatgen
data_CsMg6Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.62807336
_cell_length_b   6.13737940
_cell_length_c   4.62682939
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.58573168
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsMg6Ni
_chemical_formula_sum   'Cs1 Mg6 Ni1'
_cell_volume   259.14596961
_cell_formula_units_Z   1
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
  Cs  Cs0  1  0.07631984  0.78815942  0.25000000  1.0
  Mg  Mg1  1  0.61595248  0.29871329  0.25000000  1.0
  Mg  Mg2  1  0.61595248  0.81723818  0.25000000  1.0
  Mg  Mg3  1  0.39866657  0.21318373  0.75000000  1.0
  Mg  Mg4  1  0.39866657  0.68548385  0.75000000  1.0
  Mg  Mg5  1  0.76928227  0.13464164  0.75000000  1.0
  Mg  Mg6  1  0.72287424  0.61143762  0.75000000  1.0
  Ni  Ni7  1  0.40228554  0.45114227  0.25000000  1.0