# generated using pymatgen
data_Ca2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48462660
_cell_length_b   7.48462660
_cell_length_c   7.80408023
_cell_angle_alpha   74.87505007
_cell_angle_beta   74.87505007
_cell_angle_gamma   30.23052727
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Mg
_chemical_formula_sum   'Ca4 Mg2'
_cell_volume   211.92049189
_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  0.85096810  0.85096810  0.07522206  1.0
  Ca  Ca1  1  0.14602981  0.14602981  0.42759016  1.0
  Ca  Ca2  1  0.85397019  0.85397019  0.57240984  1.0
  Ca  Ca3  1  0.14903190  0.14903190  0.92477794  1.0
  Mg  Mg4  1  0.49986151  0.49986151  0.24416087  1.0
  Mg  Mg5  1  0.50013849  0.50013849  0.75583913  1.0