# generated using pymatgen
data_Ca5Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99456479
_cell_length_b   6.99456479
_cell_length_c   9.45129724
_cell_angle_alpha   69.93938676
_cell_angle_beta   69.93938676
_cell_angle_gamma   33.38602761
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5Mg
_chemical_formula_sum   'Ca5 Mg1'
_cell_volume   237.57069269
_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  -0.00426376  -0.00426376  0.07394225  1.0
  Ca  Ca1  1  0.28511331  0.28511331  0.36609121  1.0
  Ca  Ca2  1  0.96907621  0.96907621  0.52708881  1.0
  Ca  Ca3  1  0.63928641  0.63928641  0.71948285  1.0
  Ca  Ca4  1  0.30623248  0.30623248  0.92103354  1.0
  Mg  Mg5  1  0.63788936  0.63788936  0.22569335  1.0