# generated using pymatgen
data_Ca2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63508461
_cell_length_b   6.63508461
_cell_length_c   9.44650820
_cell_angle_alpha   68.94731461
_cell_angle_beta   68.94731461
_cell_angle_gamma   33.07793190
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Mg
_chemical_formula_sum   'Ca4 Mg2'
_cell_volume   210.43778866
_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  0.16471600  0.16471600  0.89104500  1.0
  Ca  Ca1  1  0.48068400  0.48068400  0.71067900  1.0
  Ca  Ca2  1  0.51931600  0.51931600  0.28932100  1.0
  Ca  Ca3  1  0.83528400  0.83528400  0.10895500  1.0
  Mg  Mg4  1  0.81465600  0.81465600  0.56699700  1.0
  Mg  Mg5  1  0.18534400  0.18534400  0.43300300  1.0