# generated using pymatgen
data_Ba4Sm3Cl16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.37634027
_cell_length_b   11.37634027
_cell_length_c   11.37634031
_cell_angle_alpha   72.21302469
_cell_angle_beta   72.21302472
_cell_angle_gamma   72.21302961
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4Sm3Cl16
_chemical_formula_sum   'Ba8 Sm6 Cl32'
_cell_volume   1297.88219328
_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
  Ba  Ba0  1  0.73392272  0.73392272  0.73392272  1.0
  Ba  Ba1  1  0.26607728  0.26607728  0.26607728  1.0
  Ba  Ba2  1  0.12913797  0.92398472  0.67744890  1.0
  Ba  Ba3  1  0.92398472  0.67744890  0.12913797  1.0
  Ba  Ba4  1  0.67744890  0.12913797  0.92398472  1.0
  Ba  Ba5  1  0.87086203  0.07601528  0.32255110  1.0
  Ba  Ba6  1  0.07601528  0.32255110  0.87086203  1.0
  Ba  Ba7  1  0.32255110  0.87086203  0.07601528  1.0
  Sm  Sm8  1  0.84431144  0.38079297  0.53748996  1.0
  Sm  Sm9  1  0.38079297  0.53748996  0.84431144  1.0
  Sm  Sm10  1  0.53748996  0.84431144  0.38079297  1.0
  Sm  Sm11  1  0.15568856  0.61920703  0.46251004  1.0
  Sm  Sm12  1  0.61920703  0.46251004  0.15568856  1.0
  Sm  Sm13  1  0.46251004  0.15568856  0.61920703  1.0
  Cl  Cl14  1  0.93355842  0.19764427  0.75104762  1.0
  Cl  Cl15  1  0.19764427  0.75104762  0.93355842  1.0
  Cl  Cl16  1  0.75104762  0.93355842  0.19764427  1.0
  Cl  Cl17  1  0.06644158  0.80235573  0.24895238  1.0
  Cl  Cl18  1  0.80235573  0.24895238  0.06644158  1.0
  Cl  Cl19  1  0.24895238  0.06644158  0.80235573  1.0
  Cl  Cl20  1  0.87182406  0.87182406  0.87182406  1.0
  Cl  Cl21  1  0.12817594  0.12817594  0.12817594  1.0
  Cl  Cl22  1  0.02858526  0.16580428  0.45230053  1.0
  Cl  Cl23  1  0.16580428  0.45230053  0.02858526  1.0
  Cl  Cl24  1  0.45230053  0.02858526  0.16580428  1.0
  Cl  Cl25  1  0.97141474  0.83419572  0.54769947  1.0
  Cl  Cl26  1  0.83419572  0.54769947  0.97141474  1.0
  Cl  Cl27  1  0.54769947  0.97141474  0.83419572  1.0
  Cl  Cl28  1  0.70671425  0.18822537  0.60250660  1.0
  Cl  Cl29  1  0.18822537  0.60250660  0.70671425  1.0
  Cl  Cl30  1  0.60250660  0.70671425  0.18822537  1.0
  Cl  Cl31  1  0.29328575  0.81177463  0.39749340  1.0
  Cl  Cl32  1  0.81177463  0.39749340  0.29328575  1.0
  Cl  Cl33  1  0.39749340  0.29328575  0.81177463  1.0
  Cl  Cl34  1  0.95130584  0.51354000  0.64622780  1.0
  Cl  Cl35  1  0.51354000  0.64622780  0.95130584  1.0
  Cl  Cl36  1  0.64622780  0.95130584  0.51354000  1.0
  Cl  Cl37  1  0.04869416  0.48646000  0.35377220  1.0
  Cl  Cl38  1  0.48646000  0.35377220  0.04869416  1.0
  Cl  Cl39  1  0.35377220  0.04869416  0.48646000  1.0
  Cl  Cl40  1  0.65034219  0.44469848  0.74470988  1.0
  Cl  Cl41  1  0.44469848  0.74470988  0.65034219  1.0
  Cl  Cl42  1  0.74470988  0.65034219  0.44469848  1.0
  Cl  Cl43  1  0.34965781  0.55530152  0.25529012  1.0
  Cl  Cl44  1  0.55530152  0.25529012  0.34965781  1.0
  Cl  Cl45  1  0.25529012  0.34965781  0.55530152  1.0