# generated using pymatgen
data_MoC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99296995
_cell_length_b   2.99296995
_cell_length_c   10.93028100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999899
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoC
_chemical_formula_sum   'Mo4 C4'
_cell_volume   84.79430353
_cell_formula_units_Z   4
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
  Mo  Mo0  1  0.33333300  0.66666700  0.37880400  1.0
  Mo  Mo1  1  0.66666700  0.33333300  0.62119600  1.0
  Mo  Mo2  1  0.66666700  0.33333300  0.87880400  1.0
  Mo  Mo3  1  0.33333300  0.66666700  0.12119600  1.0
  C  C4  1  0.00000000  0.00000000  0.50000000  1.0
  C  C5  1  0.00000000  0.00000000  0.00000000  1.0
  C  C6  1  0.33333300  0.66666700  0.75000000  1.0
  C  C7  1  0.66666700  0.33333300  0.25000000  1.0