# generated using pymatgen
data_CaLu2(BPt2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.30002096
_cell_length_b   5.30002154
_cell_length_c   7.78877885
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.36605165
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLu2(BPt2)3
_chemical_formula_sum   'Ca1 Lu2 B3 Pt6'
_cell_volume   190.67521301
_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
  Ca  Ca0  1  0.50000000  0.50000000  0.83333300  1.0
  Lu  Lu1  1  0.50000000  0.00000000  0.50188174  1.0
  Lu  Lu2  1  0.00000000  0.50000000  0.16478526  1.0
  B  B3  1  0.50000000  0.50000000  0.33333300  1.0
  B  B4  1  0.50000000  0.00000000  0.99808466  1.0
  B  B5  1  0.00000000  0.50000000  0.66858234  1.0
  Pt  Pt6  1  0.14996400  0.85003600  0.83333300  1.0
  Pt  Pt7  1  0.14203425  0.30001207  0.49499906  1.0
  Pt  Pt8  1  0.69998793  0.85796575  0.17166794  1.0
  Pt  Pt9  1  0.85003600  0.14996400  0.83333300  1.0
  Pt  Pt10  1  0.85796575  0.69998793  0.49499906  1.0
  Pt  Pt11  1  0.30001207  0.14203425  0.17166794  1.0