# generated using pymatgen
data_Ca3Tm(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26149783
_cell_length_b   5.40102231
_cell_length_c   7.50154024
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.58697598
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Tm(FeO3)4
_chemical_formula_sum   'Ca3 Tm1 Fe4 O12'
_cell_volume   213.16923498
_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  0.49067693  0.45568754  0.25000000  1.0
  Ca  Ca1  1  0.99006609  0.04837814  0.75000000  1.0
  Ca  Ca2  1  0.01213178  0.95031324  0.25000000  1.0
  Tm  Tm3  1  0.51303456  0.56246724  0.75000000  1.0
  Fe  Fe4  1  0.49833891  0.00319404  0.49908472  1.0
  Fe  Fe5  1  0.49833891  0.00319404  0.00091528  1.0
  Fe  Fe6  1  0.00183271  0.49772213  0.00022713  1.0
  Fe  Fe7  1  0.00183271  0.49772213  0.49977287  1.0
  O  O8  1  0.20523668  0.20746756  0.03755769  1.0
  O  O9  1  0.20523668  0.20746756  0.46244231  1.0
  O  O10  1  0.70183892  0.30129900  0.95095167  1.0
  O  O11  1  0.78426970  0.78252176  0.54611047  1.0
  O  O12  1  0.29220129  0.70505661  0.46828015  1.0
  O  O13  1  0.78426970  0.78252176  0.95388953  1.0
  O  O14  1  0.42689342  0.97530333  0.75000000  1.0
  O  O15  1  0.92990627  0.51422441  0.25000000  1.0
  O  O16  1  0.09582680  0.48284634  0.75000000  1.0
  O  O17  1  0.70183892  0.30129900  0.54904833  1.0
  O  O18  1  0.29220129  0.70505661  0.03171985  1.0
  O  O19  1  0.57402774  0.01625656  0.25000000  1.0