# generated using pymatgen
data_YMg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68493068
_cell_length_b   6.68493109
_cell_length_c   5.16703123
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000311
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg3
_chemical_formula_sum   'Y2 Mg6'
_cell_volume   199.97032273
_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
  Y  Y0  1  0.66666800  0.33333400  0.25000000  1.0
  Y  Y1  1  0.33333400  0.66666700  0.75000000  1.0
  Mg  Mg2  1  0.16261052  0.32522204  0.25000000  1.0
  Mg  Mg3  1  0.16261052  0.83738948  0.25000000  1.0
  Mg  Mg4  1  0.67477696  0.83738948  0.25000000  1.0
  Mg  Mg5  1  0.32522204  0.16261152  0.75000000  1.0
  Mg  Mg6  1  0.83739048  0.16261152  0.75000000  1.0
  Mg  Mg7  1  0.83738948  0.67477896  0.75000000  1.0