# generated using pymatgen
data_Ca3Tm(Ru2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.20567659
_cell_length_b   7.18387742
_cell_length_c   7.18387750
_cell_angle_alpha   59.99999515
_cell_angle_beta   60.10002018
_cell_angle_gamma   60.10001850
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Tm(Ru2O7)2
_chemical_formula_sum   'Ca3 Tm1 Ru4 O14'
_cell_volume   263.34949784
_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  0.62500000  0.12500000  0.62500000  1.0
  Ca  Ca1  1  0.62500000  0.62500000  0.12500000  1.0
  Ca  Ca2  1  0.62500000  0.62500000  0.62500000  1.0
  Tm  Tm3  1  0.12500000  0.62500000  0.62500000  1.0
  Ru  Ru4  1  0.62500000  0.12500000  0.12500000  1.0
  Ru  Ru5  1  0.12500000  0.62500000  0.12500000  1.0
  Ru  Ru6  1  0.12500000  0.12500000  0.62500000  1.0
  Ru  Ru7  1  0.12500000  0.12500000  0.12500000  1.0
  O  O8  1  0.19804788  0.20644279  0.79775516  1.0
  O  O9  1  0.19804788  0.79775516  0.20644279  1.0
  O  O10  1  0.44370250  0.05519476  0.05519476  1.0
  O  O11  1  0.19804788  0.79775516  0.79775516  1.0
  O  O12  1  0.05195212  0.45224484  0.45224484  1.0
  O  O13  1  0.80629750  0.80409103  0.19480524  1.0
  O  O14  1  0.44370250  0.44590897  0.05519476  1.0
  O  O15  1  0.48467624  0.50510792  0.50510792  1.0
  O  O16  1  0.05195212  0.04355721  0.45224484  1.0
  O  O17  1  0.44370250  0.05519476  0.44590897  1.0
  O  O18  1  0.05195212  0.45224484  0.04355721  1.0
  O  O19  1  0.76532376  0.74489208  0.74489208  1.0
  O  O20  1  0.80629750  0.19480524  0.80409103  1.0
  O  O21  1  0.80629750  0.19480524  0.19480524  1.0