# generated using pymatgen
data_Ca2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.63547488
_cell_length_b   9.63547488
_cell_length_c   6.01066500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   157.39509005
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Mg
_chemical_formula_sum   'Ca4 Mg2'
_cell_volume   214.49800916
_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  0.62471700  0.37528300  0.25000000  1.0
  Ca  Ca1  1  0.93792500  0.06207500  0.25000000  1.0
  Ca  Ca2  1  0.06207500  0.93792500  0.75000000  1.0
  Ca  Ca3  1  0.37528300  0.62471700  0.75000000  1.0
  Mg  Mg4  1  0.27841600  0.72158400  0.25000000  1.0
  Mg  Mg5  1  0.72158400  0.27841600  0.75000000  1.0