# generated using pymatgen
data_Ca(Nd2Se3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.95632525
_cell_length_b   8.95632525
_cell_length_c   14.82602339
_cell_angle_alpha   72.45218960
_cell_angle_beta   72.45218960
_cell_angle_gamma   90.03642349
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(Nd2Se3)4
_chemical_formula_sum   'Ca2 Nd16 Se24'
_cell_volume   1075.67646635
_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  0.79160200  0.41682700  0.16672500  1.0
  Ca  Ca1  1  0.41682700  0.79160200  0.66672500  1.0
  Nd  Nd2  1  0.45964000  0.70763300  0.08291700  1.0
  Nd  Nd3  1  0.58353900  0.71142300  0.33326500  1.0
  Nd  Nd4  1  0.37765400  0.12446100  0.24999500  1.0
  Nd  Nd5  1  0.08168300  0.45874300  0.33271400  1.0
  Nd  Nd6  1  0.03891200  0.91679200  0.16664200  1.0
  Nd  Nd7  1  0.79155600  0.04237100  0.41658800  1.0
  Nd  Nd8  1  0.12315400  0.74924900  0.50097800  1.0
  Nd  Nd9  1  0.91679200  0.03891200  0.66664200  1.0
  Nd  Nd10  1  0.70763300  0.45964000  0.58291700  1.0
  Nd  Nd11  1  0.37694600  0.24814700  0.49977400  1.0
  Nd  Nd12  1  0.12446100  0.37765400  0.74999500  1.0
  Nd  Nd13  1  0.45874300  0.08168300  0.83271400  1.0
  Nd  Nd14  1  0.24814700  0.37694600  0.99977400  1.0
  Nd  Nd15  1  0.04237100  0.79155600  0.91658800  1.0
  Nd  Nd16  1  0.74924900  0.12315400  0.00097800  1.0
  Nd  Nd17  1  0.71142300  0.58353900  0.83326500  1.0
  Se  Se18  1  0.40086200  0.04886000  0.04948000  1.0
  Se  Se19  1  0.12035100  0.61821100  0.11729200  1.0
  Se  Se20  1  0.54651700  0.40090900  0.04848600  1.0
  Se  Se21  1  0.42829200  0.43231100  0.28516600  1.0
  Se  Se22  1  0.28373700  0.78447100  0.28364400  1.0
  Se  Se23  1  0.07118200  0.21427000  0.21655400  1.0
  Se  Se24  1  0.76787600  0.76428500  0.11703700  1.0
  Se  Se25  1  0.73330700  0.38309100  0.38222100  1.0
  Se  Se26  1  0.71850100  0.06909300  0.21586700  1.0
  Se  Se27  1  0.45014700  0.94842700  0.45038800  1.0
  Se  Se28  1  0.88350900  0.73351000  0.38357600  1.0
  Se  Se29  1  0.76428500  0.76787600  0.61703700  1.0
  Se  Se30  1  0.61821100  0.12035100  0.61729200  1.0
  Se  Se31  1  0.09884300  0.09910300  0.45069100  1.0
  Se  Se32  1  0.40090900  0.54651700  0.54848600  1.0
  Se  Se33  1  0.06909300  0.71850100  0.71586700  1.0
  Se  Se34  1  0.04886000  0.40086200  0.54948000  1.0
  Se  Se35  1  0.78447100  0.28373700  0.78364400  1.0
  Se  Se36  1  0.21427000  0.07118200  0.71655400  1.0
  Se  Se37  1  0.09910300  0.09884300  0.95069100  1.0
  Se  Se38  1  0.94842700  0.45014700  0.95038800  1.0
  Se  Se39  1  0.73351000  0.88350900  0.88357600  1.0
  Se  Se40  1  0.43231100  0.42829200  0.78516600  1.0
  Se  Se41  1  0.38309100  0.73330700  0.88222100  1.0