# generated using pymatgen
data_MgNiHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12483195
_cell_length_b   3.12483238
_cell_length_c   5.42311869
_cell_angle_alpha   89.99999960
_cell_angle_beta   90.00511519
_cell_angle_gamma   120.00002400
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNiHO2
_chemical_formula_sum   'Mg1 Ni1 H1 O2'
_cell_volume   45.85989190
_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
  Mg  Mg0  1  0.66680565  0.33340233  0.38260061  1.0
  Ni  Ni1  1  0.99986557  0.99993279  0.93399386  1.0
  H  H2  1  0.33336362  0.66668281  0.59268129  1.0
  O  O3  1  0.66657617  0.33328758  0.76049249  1.0
  O  O4  1  0.33345699  0.66672849  0.18915075  1.0