# generated using pymatgen
data_Ca2Tm(BPt2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42842814
_cell_length_b   5.36701512
_cell_length_c   7.64256221
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.62646935
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Tm(BPt2)3
_chemical_formula_sum   'Ca2 Tm1 B3 Pt6'
_cell_volume   193.55255624
_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  0.82923362  1.0
  Ca  Ca1  1  0.50000000  0.00000000  0.50409938  1.0
  Tm  Tm2  1  0.00000000  0.50000000  0.16666700  1.0
  B  B3  1  0.50000000  0.50000000  0.33530243  1.0
  B  B4  1  0.50000000  0.00000000  0.99803057  1.0
  B  B5  1  0.00000000  0.50000000  0.66666700  1.0
  Pt  Pt6  1  0.13862756  0.84393318  0.83934550  1.0
  Pt  Pt7  1  0.13862756  0.29469338  0.49398750  1.0
  Pt  Pt8  1  0.70424908  0.85212454  0.16666700  1.0
  Pt  Pt9  1  0.86137244  0.15606682  0.83934550  1.0
  Pt  Pt10  1  0.86137244  0.70530662  0.49398750  1.0
  Pt  Pt11  1  0.29575092  0.14787546  0.16666700  1.0