# generated using pymatgen
data_CaMg6Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09972200
_cell_length_b   6.58874200
_cell_length_c   11.34972600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg6Zn
_chemical_formula_sum   'Ca2 Mg12 Zn2'
_cell_volume   381.35933461
_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  0.00000000  0.50000000  0.32716300  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.82716300  1.0
  Mg  Mg2  1  0.00000000  0.25755400  0.08161400  1.0
  Mg  Mg3  1  0.00000000  0.74244600  0.08161400  1.0
  Mg  Mg4  1  0.00000000  0.50000000  0.83611700  1.0
  Mg  Mg5  1  0.50000000  0.25928900  0.92067700  1.0
  Mg  Mg6  1  0.50000000  0.74071100  0.92067700  1.0
  Mg  Mg7  1  0.50000000  0.50000000  0.66715000  1.0
  Mg  Mg8  1  0.00000000  0.75755400  0.58161400  1.0
  Mg  Mg9  1  0.00000000  0.24244600  0.58161400  1.0
  Mg  Mg10  1  0.00000000  0.00000000  0.33611700  1.0
  Mg  Mg11  1  0.50000000  0.75928900  0.42067700  1.0
  Mg  Mg12  1  0.50000000  0.24071100  0.42067700  1.0
  Mg  Mg13  1  0.50000000  0.00000000  0.16715000  1.0
  Zn  Zn14  1  0.50000000  0.50000000  0.16498900  1.0
  Zn  Zn15  1  0.50000000  0.00000000  0.66498900  1.0