# generated using pymatgen
data_Ca2TmUN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87292201
_cell_length_b   9.13058706
_cell_length_c   6.01087003
_cell_angle_alpha   29.13264386
_cell_angle_beta   55.13061797
_cell_angle_gamma   41.17206768
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2TmUN4
_chemical_formula_sum   'Ca2 Tm1 U1 N4'
_cell_volume   116.47860141
_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  0.75000000  0.50000000  0.00000000  1.0
  Ca  Ca1  1  0.50000000  0.00000000  0.00000000  1.0
  Tm  Tm2  1  0.25000000  0.50000000  0.00000000  1.0
  U  U3  1  0.00000000  0.00000000  0.00000000  1.0
  N  N4  1  0.48763330  0.50000000  0.52473340  1.0
  N  N5  1  0.21704451  1.00000000  0.56590999  1.0
  N  N6  1  0.01236670  0.50000000  0.47526660  1.0
  N  N7  1  0.78295549  0.00000000  0.43409001  1.0