# generated using pymatgen
data_CaMg6C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.33004195
_cell_length_b   10.33004195
_cell_length_c   3.51715900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   148.00589058
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg6C
_chemical_formula_sum   'Ca1 Mg6 C1'
_cell_volume   198.85403936
_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  0.78829800  0.21170200  0.50000000  1.0
  Mg  Mg1  1  0.29432200  0.21453000  0.50000000  1.0
  Mg  Mg2  1  0.78547000  0.70567800  0.50000000  1.0
  Mg  Mg3  1  0.18895300  0.34811600  0.00000000  1.0
  Mg  Mg4  1  0.65188400  0.81104700  0.00000000  1.0
  Mg  Mg5  1  0.64750300  0.35249700  0.00000000  1.0
  Mg  Mg6  1  0.19499000  0.80501000  0.00000000  1.0
  C  C7  1  0.44858700  0.55141300  0.50000000  1.0