data_TlCr2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   4.8
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   104.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCr2Se
_chemical_formula_sum   'Tl1 Cr2 Se1'
_cell_volume   80.52
_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
  Tl  Tl3  1  0.89  0.4  0.82  1.0
  Cr  Cr0  1  0.26  0.0  0.19  1.0
  Cr  Cr1  1  0.68  0.4  0.45  1.0
  Se  Se2  1  0.58  0.0  0.06  1.0

data_TlCr2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.8
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   104.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCr2Se
_chemical_formula_sum   'Tl1 Cr2 Se1'
_cell_volume   80.52
_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
  Tl  Tl0  1  0.89  0.4  0.82  1.0
  Cr  Cr1  1  0.26  0.0  0.19  1.0
  Cr  Cr2  1  0.68  0.4  0.45  1.0
  Se  Se3  1  0.58  0.0  0.06  1.0

Tl Cr Cr Se