data_TlCoNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCoNi2
_chemical_formula_sum   'Tl1 Co1 Ni2'
_cell_volume   54.38
_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  0.03  0.0  0.15  1.0
  Co  Co0  1  0.0  0.0  0.27  1.0
  Ni  Ni1  1  0.03  0.0  0.04  1.0
  Ni  Ni2  1  0.0  0.0  0.05  1.0

data_TlCoNi2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TlCoNi2
_chemical_formula_sum   'Tl1 Co1 Ni2'
_cell_volume   54.42
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.03  0.0  0.15  1.0
  Co  Co1  1  0.0  0.0  0.27  1.0
  Ni  Ni2  1  0.0  0.0  0.05  1.0
  Ni  Ni3  1  0.03  0.0  0.04  1.0

Tl Co Ni Ni