# generated using pymatgen
data_CaMg6Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67812131
_cell_length_b   6.67812131
_cell_length_c   5.08226400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   124.93429941
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg6Ni
_chemical_formula_sum   'Ca1 Mg6 Ni1'
_cell_volume   185.81408359
_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
  Ca  Ca0  1  0.81688500  0.18311500  0.50000000  1.0
  Mg  Mg1  1  0.31953300  0.18778200  0.50000000  1.0
  Mg  Mg2  1  0.81221800  0.68046700  0.50000000  1.0
  Mg  Mg3  1  0.17791100  0.34245100  0.00000000  1.0
  Mg  Mg4  1  0.65754900  0.82208900  0.00000000  1.0
  Mg  Mg5  1  0.65630300  0.34369700  0.00000000  1.0
  Mg  Mg6  1  0.19187300  0.80812700  0.00000000  1.0
  Ni  Ni7  1  0.36773700  0.63226300  0.50000000  1.0