# generated using pymatgen
data_Ca3Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.18632619
_cell_length_b   7.18632619
_cell_length_c   7.18632619
_cell_angle_alpha   149.78761897
_cell_angle_beta   126.95824963
_cell_angle_gamma   62.26395250
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Mg
_chemical_formula_sum   'Ca3 Mg1'
_cell_volume   147.86911887
_cell_formula_units_Z   1
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  0.84937700  0.50000000  0.34937700  1.0
  Ca  Ca1  1  0.25714800  0.26543200  0.99171600  1.0
  Ca  Ca2  1  0.72628300  0.73456800  0.99171600  1.0
  Mg  Mg3  1  0.33385800  0.00000000  0.33385800  1.0