# generated using pymatgen
data_CaMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03061438
_cell_length_b   7.03061438
_cell_length_c   8.20792777
_cell_angle_alpha   74.59921860
_cell_angle_beta   74.59921860
_cell_angle_gamma   29.76255038
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg
_chemical_formula_sum   'Ca3 Mg3'
_cell_volume   193.64642192
_cell_formula_units_Z   3
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  0.61138400  0.61138400  0.25348500  1.0
  Ca  Ca1  1  0.33250600  0.33250600  0.32721500  1.0
  Ca  Ca2  1  0.94533600  0.94533600  0.63514700  1.0
  Mg  Mg3  1  0.00262300  0.00262300  0.99520800  1.0
  Mg  Mg4  1  0.66713600  0.66713600  0.67857500  1.0
  Mg  Mg5  1  0.27434900  0.27434900  0.94370300  1.0