# generated using pymatgen
data_Ca3Mg2Ni13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.30667083
_cell_length_b   12.30667083
_cell_length_c   12.30667090
_cell_angle_alpha   23.07990153
_cell_angle_beta   23.07990153
_cell_angle_gamma   23.07990364
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Mg2Ni13
_chemical_formula_sum   'Ca3 Mg2 Ni13'
_cell_volume   251.41248266
_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  0.50000000  0.50000000  0.50000000  1.0
  Ca  Ca1  1  0.95736100  0.95736100  0.95736100  1.0
  Ca  Ca2  1  0.04263900  0.04263900  0.04263900  1.0
  Mg  Mg3  1  0.59271900  0.59271900  0.59271900  1.0
  Mg  Mg4  1  0.40728100  0.40728100  0.40728100  1.0
  Ni  Ni5  1  0.83402500  0.83402500  0.83402500  1.0
  Ni  Ni6  1  0.16597500  0.16597500  0.16597500  1.0
  Ni  Ni7  1  0.05575200  0.55274100  0.05575200  1.0
  Ni  Ni8  1  0.05575200  0.05575200  0.55274100  1.0
  Ni  Ni9  1  0.55274100  0.05575200  0.05575200  1.0
  Ni  Ni10  1  0.94424800  0.44725900  0.94424800  1.0
  Ni  Ni11  1  0.94424800  0.94424800  0.44725900  1.0
  Ni  Ni12  1  0.44725900  0.94424800  0.94424800  1.0
  Ni  Ni13  1  0.72263400  0.72263400  0.72263400  1.0
  Ni  Ni14  1  0.27736600  0.27736600  0.27736600  1.0
  Ni  Ni15  1  0.50000000  0.50000000  0.00000000  1.0
  Ni  Ni16  1  0.00000000  0.50000000  0.50000000  1.0
  Ni  Ni17  1  0.50000000  0.00000000  0.50000000  1.0