# generated using pymatgen
data_Ca3(MgZn2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.27466345
_cell_length_b   9.27466345
_cell_length_c   9.55649441
_cell_angle_alpha   89.86497754
_cell_angle_beta   89.86497754
_cell_angle_gamma   119.45070742
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3(MgZn2)5
_chemical_formula_sum   'Ca6 Mg10 Zn20'
_cell_volume   715.81062095
_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  0.41124300  0.20430000  0.24984100  1.0
  Ca  Ca1  1  0.20430000  0.41124300  0.74984100  1.0
  Ca  Ca2  1  0.20049300  0.79210200  0.75221300  1.0
  Ca  Ca3  1  0.79210200  0.20049300  0.25221300  1.0
  Ca  Ca4  1  0.79406500  0.59274800  0.24790800  1.0
  Ca  Ca5  1  0.59274800  0.79406500  0.74790800  1.0
  Mg  Mg6  1  0.31606800  0.15871200  0.90914600  1.0
  Mg  Mg7  1  0.14806100  0.84020200  0.08552500  1.0
  Mg  Mg8  1  0.69196300  0.84063600  0.08961700  1.0
  Mg  Mg9  1  0.15517100  0.31243400  0.09072000  1.0
  Mg  Mg10  1  0.84020200  0.14806100  0.58552500  1.0
  Mg  Mg11  1  0.84063600  0.69196300  0.58961700  1.0
  Mg  Mg12  1  0.31243400  0.15517100  0.59072000  1.0
  Mg  Mg13  1  0.15871200  0.31606800  0.40914600  1.0
  Mg  Mg14  1  0.15680600  0.84248800  0.40988600  1.0
  Mg  Mg15  1  0.84248800  0.15680600  0.90988600  1.0
  Zn  Zn16  1  0.84368300  0.68861000  0.90801400  1.0
  Zn  Zn17  1  0.68861000  0.84368300  0.40801400  1.0
  Zn  Zn18  1  0.99968000  0.99618700  0.75806000  1.0
  Zn  Zn19  1  0.99618700  0.99968000  0.25806000  1.0
  Zn  Zn20  1  0.33401500  0.66686600  0.00544000  1.0
  Zn  Zn21  1  0.66686600  0.33401500  0.50544000  1.0
  Zn  Zn22  1  0.66746800  0.33496100  0.99358100  1.0
  Zn  Zn23  1  0.33496100  0.66746800  0.49358100  1.0
  Zn  Zn24  1  0.43526500  0.86485100  0.25136600  1.0
  Zn  Zn25  1  0.43321000  0.57094400  0.25031700  1.0
  Zn  Zn26  1  0.57094400  0.43321000  0.75031700  1.0
  Zn  Zn27  1  0.56881800  0.13604600  0.74963200  1.0
  Zn  Zn28  1  0.13604600  0.56881800  0.24963200  1.0
  Zn  Zn29  1  0.86485100  0.43526500  0.75136600  1.0
  Zn  Zn30  1  0.99817800  0.50212300  0.99889700  1.0
  Zn  Zn31  1  0.50212300  0.99817800  0.49889700  1.0
  Zn  Zn32  1  0.50210100  0.50260900  0.49943500  1.0
  Zn  Zn33  1  0.50260900  0.50210100  0.99943500  1.0
  Zn  Zn34  1  0.49830400  0.99857300  0.00040300  1.0
  Zn  Zn35  1  0.99857300  0.49830400  0.50040300  1.0