# generated using pymatgen
data_Ca2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87533989
_cell_length_b   3.77122343
_cell_length_c   19.22180528
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Mg
_chemical_formula_sum   'Ca8 Mg4'
_cell_volume   425.90175786
_cell_formula_units_Z   4
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  0.00000000  0.00000000  0.99749771  1.0
  Ca  Ca1  1  0.00000000  0.50000000  0.16934170  1.0
  Ca  Ca2  1  0.00000000  0.00000000  0.33424137  1.0
  Ca  Ca3  1  0.50000000  0.50000000  0.05519379  1.0
  Ca  Ca4  1  0.00000000  0.50000000  0.49749771  1.0
  Ca  Ca5  1  0.00000000  0.00000000  0.66934170  1.0
  Ca  Ca6  1  0.00000000  0.50000000  0.83424137  1.0
  Ca  Ca7  1  0.50000000  -0.00000000  0.55519379  1.0
  Mg  Mg8  1  0.50000000  0.50000000  0.38759581  1.0
  Mg  Mg9  1  0.50000000  0.00000000  0.22279662  1.0
  Mg  Mg10  1  0.50000000  0.00000000  0.88759581  1.0
  Mg  Mg11  1  0.50000000  0.50000000  0.72279662  1.0