# generated using pymatgen
data_CaTm2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05247162
_cell_length_b   4.05247282
_cell_length_c   9.94194738
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998213
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTm2Se3
_chemical_formula_sum   'Ca1 Tm2 Se3'
_cell_volume   141.39767352
_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  0.00000000  0.00000000  0.00000000  1.0
  Tm  Tm1  1  0.33333300  0.66666700  0.65403153  1.0
  Tm  Tm2  1  0.66666700  0.33333300  0.34596847  1.0
  Se  Se3  1  0.33333300  0.66666700  0.17645321  1.0
  Se  Se4  1  0.66666700  0.33333300  0.82354679  1.0
  Se  Se5  1  0.00000000  0.00000000  0.50000000  1.0