# generated using pymatgen
data_Mg6ZrC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79864796
_cell_length_b   6.79864796
_cell_length_c   4.64219900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   132.89086867
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6ZrC
_chemical_formula_sum   'Mg6 Zr1 C1'
_cell_volume   157.20495533
_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
  Mg  Mg0  1  0.30191000  0.20341600  0.50000000  1.0
  Mg  Mg1  1  0.79658400  0.69809000  0.50000000  1.0
  Mg  Mg2  1  0.17369900  0.33287500  0.00000000  1.0
  Mg  Mg3  1  0.66712500  0.82630100  0.00000000  1.0
  Mg  Mg4  1  0.65450200  0.34549800  0.00000000  1.0
  Mg  Mg5  1  0.20972500  0.79027500  0.00000000  1.0
  Zr  Zr6  1  0.81064400  0.18935600  0.50000000  1.0
  C  C7  1  0.38581700  0.61418300  0.50000000  1.0