# generated using pymatgen
data_NdCO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98974700
_cell_length_b   7.35724800
_cell_length_c   8.45412100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdCO4
_chemical_formula_sum   'Nd4 C4 O16'
_cell_volume   310.35759708
_cell_formula_units_Z   4
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
  Nd  Nd0  1  0.25000000  0.35454900  0.33351100  1.0
  Nd  Nd1  1  0.25000000  0.85454900  0.16648900  1.0
  Nd  Nd2  1  0.75000000  0.64545100  0.66648900  1.0
  Nd  Nd3  1  0.75000000  0.14545100  0.83351100  1.0
  C  C4  1  0.25000000  0.30324600  0.67969600  1.0
  C  C5  1  0.25000000  0.80324600  0.82030400  1.0
  C  C6  1  0.75000000  0.69675400  0.32030400  1.0
  C  C7  1  0.75000000  0.19675400  0.17969600  1.0
  O  O8  1  0.25000000  0.03690600  0.39990800  1.0
  O  O9  1  0.25000000  0.53690600  0.10009200  1.0
  O  O10  1  0.75000000  0.96309400  0.60009200  1.0
  O  O11  1  0.75000000  0.46309400  0.89990800  1.0
  O  O12  1  0.75000000  0.29477600  0.30557400  1.0
  O  O13  1  0.75000000  0.79477600  0.19442600  1.0
  O  O14  1  0.25000000  0.70522400  0.69442600  1.0
  O  O15  1  0.25000000  0.20522400  0.80557400  1.0
  O  O16  1  0.97523100  0.65108200  0.38613500  1.0
  O  O17  1  0.52476900  0.15108200  0.11386500  1.0
  O  O18  1  0.47523100  0.34891800  0.61386500  1.0
  O  O19  1  0.02476900  0.84891800  0.88613500  1.0
  O  O20  1  0.02476900  0.34891800  0.61386500  1.0
  O  O21  1  0.47523100  0.84891800  0.88613500  1.0
  O  O22  1  0.52476900  0.65108200  0.38613500  1.0
  O  O23  1  0.97523100  0.15108200  0.11386500  1.0