# generated using pymatgen
data_BaCa(GaSn)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57354784
_cell_length_b   4.57354798
_cell_length_c   18.85736813
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999895
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCa(GaSn)2
_chemical_formula_sum   'Ba2 Ca2 Ga4 Sn4'
_cell_volume   341.60025102
_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  0.00000000  0.00000000  0.50000000  1.0
  Ba  Ba1  1  0.00000000  0.00000000  0.00000000  1.0
  Ca  Ca2  1  0.00000000  0.00000000  0.25000000  1.0
  Ca  Ca3  1  0.00000000  0.00000000  0.75000000  1.0
  Ga  Ga4  1  0.33333300  0.66666700  0.32662661  1.0
  Ga  Ga5  1  0.66666700  0.33333300  0.67337339  1.0
  Ga  Ga6  1  0.66666700  0.33333300  0.82662661  1.0
  Ga  Ga7  1  0.33333300  0.66666700  0.17337339  1.0
  Sn  Sn8  1  0.33333300  0.66666700  0.87379238  1.0
  Sn  Sn9  1  0.66666700  0.33333300  0.12620762  1.0
  Sn  Sn10  1  0.66666700  0.33333300  0.37379238  1.0
  Sn  Sn11  1  0.33333300  0.66666700  0.62620762  1.0