# generated using pymatgen
data_Ca2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.21916864
_cell_length_b   7.21916864
_cell_length_c   8.51543869
_cell_angle_alpha   76.81169584
_cell_angle_beta   76.81169584
_cell_angle_gamma   29.74221894
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Mg
_chemical_formula_sum   'Ca4 Mg2'
_cell_volume   213.94341826
_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  0.00749800  0.00749800  0.00918400  1.0
  Ca  Ca1  1  0.33532200  0.33532200  0.34471600  1.0
  Ca  Ca2  1  0.65332200  0.65332200  0.65393400  1.0
  Ca  Ca3  1  0.28024800  0.28024800  0.93902800  1.0
  Mg  Mg4  1  0.61349700  0.61349700  0.27562100  1.0
  Mg  Mg5  1  0.94344600  0.94344600  0.61085100  1.0