# generated using pymatgen
data_Ca3Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03873522
_cell_length_b   7.03873522
_cell_length_c   7.03873522
_cell_angle_alpha   145.75789214
_cell_angle_beta   129.47546670
_cell_angle_gamma   62.45694512
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Mg
_chemical_formula_sum   'Ca3 Mg1'
_cell_volume   149.85650971
_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  0.91393403  0.50000000  0.41393403  1.0
  Ca  Ca1  1  0.19511658  0.27493693  0.92017964  1.0
  Ca  Ca2  1  0.64524171  0.72506307  0.92017964  1.0
  Mg  Mg3  1  0.41237368  -0.00000000  0.41237368  1.0