# generated using pymatgen
data_Tm2PSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94614471
_cell_length_b   6.94614503
_cell_length_c   6.94614442
_cell_angle_alpha   33.02697811
_cell_angle_beta   33.02697509
_cell_angle_gamma   33.02698305
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm2PSe
_chemical_formula_sum   'Tm2 P1 Se1'
_cell_volume   88.60238052
_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
  Tm  Tm0  1  0.25756177  0.25756177  0.25756177  1.0
  Tm  Tm1  1  0.74243823  0.74243823  0.74243823  1.0
  P  P2  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se3  1  0.50000000  0.50000000  0.50000000  1.0