# generated using pymatgen
data_Ca2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.55319745
_cell_length_b   7.55319745
_cell_length_c   7.77235567
_cell_angle_alpha   75.04845618
_cell_angle_beta   75.04845618
_cell_angle_gamma   29.79927172
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Mg
_chemical_formula_sum   'Ca4 Mg2'
_cell_volume   212.36420619
_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  0.85226101  0.85226101  0.07480972  1.0
  Ca  Ca1  1  0.14731689  0.14731689  0.42691681  1.0
  Ca  Ca2  1  0.85268311  0.85268311  0.57308319  1.0
  Ca  Ca3  1  0.14773899  0.14773899  0.92519028  1.0
  Mg  Mg4  1  0.50081587  0.50081587  0.24921535  1.0
  Mg  Mg5  1  0.49918413  0.49918413  0.75078465  1.0