# generated using pymatgen
data_CaMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22215556
_cell_length_b   6.22215556
_cell_length_c   6.22215514
_cell_angle_alpha   59.77438230
_cell_angle_beta   59.77438230
_cell_angle_gamma   59.77437878
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg2
_chemical_formula_sum   'Ca2 Mg4'
_cell_volume   169.46388236
_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  0.87533399  0.87533399  0.87533399  1.0
  Ca  Ca1  1  0.12466601  0.12466601  0.12466601  1.0
  Mg  Mg2  1  0.50000000  0.00000000  0.50000000  1.0
  Mg  Mg3  1  0.00000000  0.50000000  0.50000000  1.0
  Mg  Mg4  1  0.50000000  0.50000000  0.50000000  1.0
  Mg  Mg5  1  0.50000000  0.50000000  0.00000000  1.0