# generated using pymatgen
data_Ca3Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96050942
_cell_length_b   6.04131919
_cell_length_c   6.26084462
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Mg
_chemical_formula_sum   'Ca3 Mg1'
_cell_volume   149.80136074
_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  -0.00000000  -0.00000000  -0.00917466  1.0
  Ca  Ca1  1  0.50000000  -0.00000000  0.47680639  1.0
  Ca  Ca2  1  0.50000000  0.50000000  0.85529242  1.0
  Mg  Mg3  1  -0.00000000  0.50000000  0.34374285  1.0