# generated using pymatgen
data_CaMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.90703096
_cell_length_b   5.90703096
_cell_length_c   6.47522035
_cell_angle_alpha   64.96222114
_cell_angle_beta   64.96222114
_cell_angle_gamma   60.01015927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg2
_chemical_formula_sum   'Ca2 Mg4'
_cell_volume   170.72854451
_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  0.09077400  0.90922600  0.25000000  1.0
  Ca  Ca1  1  0.90922600  0.09077400  0.75000000  1.0
  Mg  Mg2  1  0.25359400  0.41722500  0.74864000  1.0
  Mg  Mg3  1  0.58277500  0.74640600  0.75136000  1.0
  Mg  Mg4  1  0.41722500  0.25359400  0.24864000  1.0
  Mg  Mg5  1  0.74640600  0.58277500  0.25136000  1.0