# generated using pymatgen
data_Ca2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73635891
_cell_length_b   3.73635891
_cell_length_c   17.99185000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001617
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Mg
_chemical_formula_sum   'Ca4 Mg2'
_cell_volume   217.52218549
_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  0.33333300  0.66666700  0.90825200  1.0
  Ca  Ca1  1  0.66666700  0.33333300  0.72518700  1.0
  Ca  Ca2  1  0.33333300  0.66666700  0.27481300  1.0
  Ca  Ca3  1  0.66666700  0.33333300  0.09174800  1.0
  Mg  Mg4  1  0.33333300  0.66666700  0.57029800  1.0
  Mg  Mg5  1  0.66666700  0.33333300  0.42970200  1.0