# generated using pymatgen
data_CaNd4Co4Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95546912
_cell_length_b   3.95546847
_cell_length_c   18.99942981
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998873
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNd4Co4Cl
_chemical_formula_sum   'Ca1 Nd4 Co4 Cl1'
_cell_volume   257.43475194
_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  0.33333300  0.66666700  0.25000000  1.0
  Nd  Nd1  1  0.00000000  0.00000000  0.06995453  1.0
  Nd  Nd2  1  0.00000000  0.00000000  0.86680041  1.0
  Nd  Nd3  1  0.00000000  0.00000000  0.63319959  1.0
  Nd  Nd4  1  0.00000000  0.00000000  0.43004547  1.0
  Co  Co5  1  0.33333300  0.66666700  0.53557636  1.0
  Co  Co6  1  0.66666700  0.33333300  0.52962232  1.0
  Co  Co7  1  0.66666700  0.33333300  0.97037768  1.0
  Co  Co8  1  0.33333300  0.66666700  0.96442364  1.0
  Cl  Cl9  1  0.66666700  0.33333300  0.75000000  1.0