# generated using pymatgen
data_CaMg6C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.75920981
_cell_length_b   9.75920981
_cell_length_c   3.31263600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   143.97314219
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg6C
_chemical_formula_sum   'Ca1 Mg6 C1'
_cell_volume   185.56743996
_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  0.20993200  0.79006800  0.00000000  1.0
  Mg  Mg1  1  0.17975900  0.36565600  0.00000000  1.0
  Mg  Mg2  1  0.63434400  0.82024100  0.00000000  1.0
  Mg  Mg3  1  0.65632600  0.34367400  0.00000000  1.0
  Mg  Mg4  1  0.29332500  0.21182300  0.50000000  1.0
  Mg  Mg5  1  0.78817700  0.70667500  0.50000000  1.0
  Mg  Mg6  1  0.79298700  0.20701300  0.50000000  1.0
  C  C7  1  0.44514900  0.55485100  0.50000000  1.0