# generated using pymatgen
data_LiCaSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.90118957
_cell_length_b   4.90118875
_cell_length_c   10.84939601
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999169
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCaSn
_chemical_formula_sum   'Li3 Ca3 Sn3'
_cell_volume   225.70394942
_cell_formula_units_Z   3
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
  Li  Li0  1  0.33333300  0.66666700  0.79956917  1
  Li  Li1  1  0.66666700  0.33333300  0.49068370  1
  Li  Li2  1  0.33333300  0.66666700  0.19293654  1
  Ca  Ca3  1  0.00000000  -0.00000000  0.32811309  1
  Ca  Ca4  1  0.00000000  -0.00000000  0.66182019  1
  Ca  Ca5  1  0.00000000  -0.00000000  0.99579252  1
  Sn  Sn6  1  0.33333300  0.66666700  0.49497135  1
  Sn  Sn7  1  0.66666700  0.33333300  0.14095577  1
  Sn  Sn8  1  0.66666700  0.33333300  0.85115767  1
