# generated using pymatgen
data_CaMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13653137
_cell_length_b   6.13653137
_cell_length_c   6.60191061
_cell_angle_alpha   66.00762715
_cell_angle_beta   66.00762715
_cell_angle_gamma   60.23189618
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg
_chemical_formula_sum   'Ca3 Mg3'
_cell_volume   190.47363459
_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  0.35366600  0.64633400  0.00000000  1.0
  Ca  Ca1  1  0.15513300  0.16820700  0.50929800  1.0
  Ca  Ca2  1  0.83179300  0.84486700  0.49070200  1.0
  Mg  Mg3  1  0.66018500  0.00261000  0.99672900  1.0
  Mg  Mg4  1  0.99739000  0.33981500  0.00327100  1.0
  Mg  Mg5  1  0.50183200  0.49816800  0.50000000  1.0