# generated using pymatgen
data_Ca(MoC)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12732982
_cell_length_b   6.12733098
_cell_length_c   6.12733122
_cell_angle_alpha   94.24396447
_cell_angle_beta   94.24397656
_cell_angle_gamma   148.42909240
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(MoC)4
_chemical_formula_sum   'Ca1 Mo4 C4'
_cell_volume   115.89897028
_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  0.00000000  0.00000000  0.00000000  1.0
  Mo  Mo1  1  0.62921366  0.81827675  0.44749140  1.0
  Mo  Mo2  1  0.37078634  0.18172325  0.55250860  1.0
  Mo  Mo3  1  0.81827675  0.37078634  0.18906209  1.0
  Mo  Mo4  1  0.18172325  0.62921366  0.81093791  1.0
  C  C5  1  0.25939154  0.39920850  0.65860004  1.0
  C  C6  1  0.74060846  0.60079150  0.34139996  1.0
  C  C7  1  0.39920850  0.74060846  0.13981596  1.0
  C  C8  1  0.60079150  0.25939154  0.86018404  1.0