[CIF]
data_Ca3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76328399
_cell_length_b   5.76328399
_cell_length_c   5.76328399
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3C
_chemical_formula_sum   'Ca6 C2'
_cell_volume   191.43002711
_cell_formula_units_Z   2
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
  C  C0  1  2.88164200  2.88164200  2.88164200  1
  C  C1  1  0.00000000  0.00000000  0.00000000  1
  Ca  Ca2  1  1.44082100  0.00000000  2.88164200  1
  Ca  Ca3  1  4.32246299  0.00000000  2.88164200  1
  Ca  Ca4  1  2.88164200  1.44082100  0.00000000  1
  Ca  Ca5  1  2.88164200  4.32246299  0.00000000  1
  Ca  Ca6  1  0.00000000  2.88164200  4.32246299  1
  Ca  Ca7  1  0.00000000  2.88164200  1.44082100  1
[/CIF]
