# generated using pymatgen
data_Ca3Ac(ReC2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24149702
_cell_length_b   6.67164640
_cell_length_c   10.99520889
_cell_angle_alpha   90.08973807
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Ac(ReC2)2
_chemical_formula_sum   'Ca6 Ac2 Re4 C8'
_cell_volume   384.49554797
_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  0.75000000  0.80411996  0.04474512  1.0
  Ca  Ca1  1  0.25000000  0.19588004  0.95525488  1.0
  Ca  Ca2  1  0.25000000  0.53530977  0.19755030  1.0
  Ca  Ca3  1  0.75000000  0.46469023  0.80244970  1.0
  Ca  Ca4  1  0.75000000  0.98283698  0.75776611  1.0
  Ca  Ca5  1  0.25000000  0.01716302  0.24223389  1.0
  Ac  Ac6  1  0.25000000  0.72620903  0.54887903  1.0
  Ac  Ac7  1  0.75000000  0.27379097  0.45112097  1.0
  Re  Re8  1  0.25000000  0.73956855  0.85887323  1.0
  Re  Re9  1  0.75000000  0.26043145  0.14112677  1.0
  Re  Re10  1  0.75000000  0.76350489  0.32990113  1.0
  Re  Re11  1  0.25000000  0.23649511  0.67009887  1.0
  C  C12  1  0.25000000  0.48059052  0.76815681  1.0
  C  C13  1  0.75000000  0.51940948  0.23184319  1.0
  C  C14  1  0.75000000  0.02456102  0.24562722  1.0
  C  C15  1  0.25000000  0.97543898  0.75437278  1.0
  C  C16  1  0.25000000  0.79178098  0.02520661  1.0
  C  C17  1  0.75000000  0.20821902  0.97479339  1.0
  C  C18  1  0.75000000  0.73691541  0.49817473  1.0
  C  C19  1  0.25000000  0.26308459  0.50182527  1.0