# generated using pymatgen
data_CaLa4Sn3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.52080442
_cell_length_b   9.52080486
_cell_length_c   9.52080540
_cell_angle_alpha   127.61491807
_cell_angle_beta   127.61491674
_cell_angle_gamma   77.24968271
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLa4Sn3H
_chemical_formula_sum   'Ca2 La8 Sn6 H2'
_cell_volume   525.42903338
_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  0.50000000  0.50000000  0.00000000  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.00000000  1.0
  La  La2  1  0.51538105  0.01538105  0.83336590  1.0
  La  La3  1  0.18201615  0.68201615  0.16663410  1.0
  La  La4  1  0.01538105  0.18201615  0.50000000  1.0
  La  La5  1  0.68201615  0.51538105  0.50000000  1.0
  La  La6  1  0.48461895  0.98461895  0.16663410  1.0
  La  La7  1  0.81798385  0.31798385  0.83336590  1.0
  La  La8  1  0.98461895  0.81798385  0.50000000  1.0
  La  La9  1  0.31798385  0.48461895  0.50000000  1.0
  Sn  Sn10  1  0.25000000  0.25000000  0.00000000  1.0
  Sn  Sn11  1  0.75000000  0.75000000  0.00000000  1.0
  Sn  Sn12  1  0.87150613  0.37150613  0.24301327  1.0
  Sn  Sn13  1  0.12849387  0.62849387  0.75698673  1.0
  Sn  Sn14  1  0.37150613  0.12849387  0.50000000  1.0
  Sn  Sn15  1  0.62849387  0.87150613  0.50000000  1.0
  H  H16  1  0.25000000  0.75000000  0.50000000  1.0
  H  H17  1  0.75000000  0.25000000  0.50000000  1.0