# generated using pymatgen
data_CaMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27560629
_cell_length_b   6.27560607
_cell_length_c   9.90717363
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998644
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg2
_chemical_formula_sum   'Ca4 Mg8'
_cell_volume   337.90283005
_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  0.33333300  0.66666700  0.43808549  1.0
  Ca  Ca1  1  0.66666700  0.33333300  0.93808549  1.0
  Ca  Ca2  1  0.66666700  0.33333300  0.56191451  1.0
  Ca  Ca3  1  0.33333300  0.66666700  0.06191451  1.0
  Mg  Mg4  1  0.16800050  0.33599900  0.75000000  1.0
  Mg  Mg5  1  0.83199950  0.16799950  0.25000000  1.0
  Mg  Mg6  1  0.33599900  0.16800050  0.25000000  1.0
  Mg  Mg7  1  0.66400100  0.83199950  0.75000000  1.0
  Mg  Mg8  1  0.00000000  -0.00000000  0.00000000  1.0
  Mg  Mg9  1  0.00000000  -0.00000000  0.50000000  1.0
  Mg  Mg10  1  0.83199950  0.66400100  0.25000000  1.0
  Mg  Mg11  1  0.16800050  0.83200050  0.75000000  1.0