# generated using pymatgen
data_CaAc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.05193014
_cell_length_b   8.05192546
_cell_length_c   6.60894949
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99997760
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAc3
_chemical_formula_sum   'Ca2 Ac6'
_cell_volume   371.07603405
_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
  Ca  Ca0  1  0.33333200  0.66666700  0.75000000  1.0
  Ca  Ca1  1  0.66666700  0.33333300  0.24999900  1.0
  Ac  Ac2  1  0.16790561  0.33581223  0.24999900  1.0
  Ac  Ac3  1  0.66418777  0.83209339  0.24999900  1.0
  Ac  Ac4  1  0.16790561  0.83209339  0.24999900  1.0
  Ac  Ac5  1  0.83209439  0.66418777  0.75000000  1.0
  Ac  Ac6  1  0.33581323  0.16790561  0.75000000  1.0
  Ac  Ac7  1  0.83209439  0.16790561  0.75000000  1.0