# generated using pymatgen
data_Ca2NdMn2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39251087
_cell_length_b   5.42784772
_cell_length_c   9.99464246
_cell_angle_alpha   74.23456630
_cell_angle_beta   89.99992176
_cell_angle_gamma   89.99988115
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2NdMn2O7
_chemical_formula_sum   'Ca4 Nd2 Mn4 O14'
_cell_volume   281.53570192
_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  0.22408487  0.57563251  0.37226419  1.0
  Ca  Ca1  1  0.72409003  0.05176450  0.37224291  1.0
  Ca  Ca2  1  0.72407911  0.42436029  0.62773636  1.0
  Ca  Ca3  1  0.22408623  0.94823672  0.62775755  1.0
  Nd  Nd4  1  0.27889813  0.75117203  0.00000532  1.0
  Nd  Nd5  1  0.77889912  0.24882536  0.99999972  1.0
  Mn  Mn6  1  0.24981515  0.14993132  0.20301355  1.0
  Mn  Mn7  1  0.74979236  0.64641358  0.20302682  1.0
  Mn  Mn8  1  0.74981522  0.85007923  0.79697656  1.0
  Mn  Mn9  1  0.24978292  0.35358307  0.79698100  1.0
  O  O10  1  0.24085194  0.31155672  0.00000505  1.0
  O  O11  1  0.74085267  0.68843913  0.99999755  1.0
  O  O12  1  0.02478669  0.06034925  0.83106631  1.0
  O  O13  1  0.52468889  0.10911855  0.83104805  1.0
  O  O14  1  0.52478096  0.93965962  0.16893041  1.0
  O  O15  1  0.02469818  0.89088930  0.16895275  1.0
  O  O16  1  0.96965546  0.57845539  0.78390555  1.0
  O  O17  1  0.46962275  0.63808781  0.78389748  1.0
  O  O18  1  0.46964827  0.42153913  0.21609442  1.0
  O  O19  1  0.96962840  0.36190070  0.21610291  1.0
  O  O20  1  0.26186099  0.39485025  0.60460954  1.0
  O  O21  1  0.76185884  0.00095327  0.60457384  1.0
  O  O22  1  0.76185944  0.60515111  0.39538869  1.0
  O  O23  1  0.26186337  0.99904716  0.39542249  1.0