# generated using pymatgen
data_CaMg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46209202
_cell_length_b   6.46209202
_cell_length_c   6.46209202
_cell_angle_alpha   149.79122242
_cell_angle_beta   126.32833201
_cell_angle_gamma   62.83146897
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg3
_chemical_formula_sum   'Ca1 Mg3'
_cell_volume   108.36034211
_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  0.33709900  0.00000000  0.33709900  1.0
  Mg  Mg1  1  0.83069800  0.50000000  0.33069800  1.0
  Mg  Mg2  1  0.24438900  0.24495400  0.99943500  1.0
  Mg  Mg3  1  0.75448100  0.75504600  0.99943500  1.0