# generated using pymatgen
data_CaMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79180319
_cell_length_b   6.79180319
_cell_length_c   7.69029051
_cell_angle_alpha   74.85764804
_cell_angle_beta   74.85764804
_cell_angle_gamma   29.72419368
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg2
_chemical_formula_sum   'Ca2 Mg4'
_cell_volume   169.34492284
_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
  Ca  Ca0  1  0.52186900  0.52186900  0.22023900  1.0
  Ca  Ca1  1  0.47813100  0.47813100  0.77976100  1.0
  Mg  Mg2  1  0.80131600  0.80131600  0.13643800  1.0
  Mg  Mg3  1  0.15989500  0.15989500  0.46218500  1.0
  Mg  Mg4  1  0.84010500  0.84010500  0.53781500  1.0
  Mg  Mg5  1  0.19868400  0.19868400  0.86356200  1.0