# generated using pymatgen
data_Ca2Lu(BPt2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42635125
_cell_length_b   5.35064098
_cell_length_c   7.63448959
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.53950861
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Lu(BPt2)3
_chemical_formula_sum   'Ca2 Lu1 B3 Pt6'
_cell_volume   192.85057069
_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  0.82915977  1.0
  Ca  Ca1  1  0.50000000  0.00000000  0.50417323  1.0
  Lu  Lu2  1  0.00000000  0.50000000  0.16666700  1.0
  B  B3  1  0.50000000  0.50000000  0.33519782  1.0
  B  B4  1  0.50000000  0.00000000  0.99813518  1.0
  B  B5  1  0.00000000  0.50000000  0.66666700  1.0
  Pt  Pt6  1  0.13734903  0.84214777  0.84057506  1.0
  Pt  Pt7  1  0.13734903  0.29520126  0.49275794  1.0
  Pt  Pt8  1  0.70521294  0.85260647  0.16666700  1.0
  Pt  Pt9  1  0.86265097  0.15785223  0.84057506  1.0
  Pt  Pt10  1  0.86265097  0.70479874  0.49275794  1.0
  Pt  Pt11  1  0.29478706  0.14739353  0.16666700  1.0