# generated using pymatgen
data_Nd3BeCrS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.86718955
_cell_length_b   9.86718955
_cell_length_c   6.09901327
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999532
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3BeCrS7
_chemical_formula_sum   'Nd6 Be2 Cr2 S14'
_cell_volume   514.25340143
_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
  Nd  Nd0  1  0.84631473  0.23916957  0.26983385  1.0
  Nd  Nd1  1  0.76083043  0.60714517  0.26983385  1.0
  Nd  Nd2  1  0.39285483  0.15368527  0.26983385  1.0
  Nd  Nd3  1  0.15368527  0.76083043  0.76983385  1.0
  Nd  Nd4  1  0.23916957  0.39285483  0.76983385  1.0
  Nd  Nd5  1  0.60714517  0.84631473  0.76983385  1.0
  Be  Be6  1  0.66666700  0.33333300  0.85516281  1.0
  Be  Be7  1  0.33333300  0.66666700  0.35516281  1.0
  Cr  Cr8  1  0.00000000  0.00000000  0.45254402  1.0
  Cr  Cr9  1  0.00000000  0.00000000  0.95254402  1.0
  S  S10  1  0.91150765  0.13212931  0.69622697  1.0
  S  S11  1  0.86787069  0.77937735  0.69622697  1.0
  S  S12  1  0.22062265  0.08849235  0.69622697  1.0
  S  S13  1  0.08849235  0.86787069  0.19622697  1.0
  S  S14  1  0.13212931  0.22062265  0.19622697  1.0
  S  S15  1  0.77937735  0.91150765  0.19622697  1.0
  S  S16  1  0.57995623  0.10444603  0.98395588  1.0
  S  S17  1  0.89555397  0.47551020  0.98395588  1.0
  S  S18  1  0.52448980  0.42004377  0.98395588  1.0
  S  S19  1  0.42004377  0.89555397  0.48395588  1.0
  S  S20  1  0.10444603  0.52448980  0.48395588  1.0
  S  S21  1  0.47551020  0.57995623  0.48395588  1.0
  S  S22  1  0.66666700  0.33333300  0.51022607  1.0
  S  S23  1  0.33333300  0.66666700  0.01022607  1.0