# generated using pymatgen
data_CaMg6Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15148900
_cell_length_b   6.76798100
_cell_length_c   11.11376400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg6Ti
_chemical_formula_sum   'Ca2 Mg12 Ti2'
_cell_volume   387.48337871
_cell_formula_units_Z   2
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  0.50000000  0.50000000  0.33710000  1.0
  Ca  Ca1  1  0.50000000  0.00000000  0.83710000  1.0
  Mg  Mg2  1  0.50000000  0.74934600  0.08333000  1.0
  Mg  Mg3  1  0.50000000  0.25065400  0.08333000  1.0
  Mg  Mg4  1  0.00000000  0.73066600  0.91376900  1.0
  Mg  Mg5  1  0.00000000  0.26933400  0.91376900  1.0
  Mg  Mg6  1  0.00000000  0.50000000  0.15790900  1.0
  Mg  Mg7  1  0.00000000  0.50000000  0.67107200  1.0
  Mg  Mg8  1  0.50000000  0.24934600  0.58333000  1.0
  Mg  Mg9  1  0.50000000  0.75065400  0.58333000  1.0
  Mg  Mg10  1  0.00000000  0.23066600  0.41376900  1.0
  Mg  Mg11  1  0.00000000  0.76933400  0.41376900  1.0
  Mg  Mg12  1  0.00000000  0.00000000  0.65790900  1.0
  Mg  Mg13  1  0.00000000  0.00000000  0.17107200  1.0
  Ti  Ti14  1  0.50000000  0.50000000  0.83972500  1.0
  Ti  Ti15  1  0.50000000  0.00000000  0.33972500  1.0