# generated using pymatgen
data_Er5CSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82512568
_cell_length_b   6.82688859
_cell_length_c   6.83697495
_cell_angle_alpha   99.53430304
_cell_angle_beta   99.61806498
_cell_angle_gamma   131.86710690
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er5CSe4
_chemical_formula_sum   'Er5 C1 Se4'
_cell_volume   216.59538545
_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
  Er  Er0  1  0.40892855  0.75951710  0.16865207  1.0
  Er  Er1  1  0.00000000  0.00000000  0.00000000  1.0
  Er  Er2  1  0.59107145  0.24048290  0.83134793  1.0
  Er  Er3  1  0.24052712  0.40978433  0.65032688  1.0
  Er  Er4  1  0.75947288  0.59021567  0.34967312  1.0
  C  C5  1  0.50000000  0.50000000  0.00000000  1.0
  Se  Se6  1  0.09214050  0.69447484  0.78662411  1.0
  Se  Se7  1  0.69451991  0.90711365  0.60189667  1.0
  Se  Se8  1  0.30548009  0.09288635  0.39810333  1.0
  Se  Se9  1  0.90785950  0.30552516  0.21337589  1.0