data_GaPt2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   136.82
_cell_angle_beta   136.82
_cell_angle_gamma   62.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaPt2Se
_chemical_formula_sum   'Ga1 Pt2 Se1'
_cell_volume   65.83
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.92  0.0  0.23  1.0
  Pt  Pt2  1  0.0  0.0  0.46  1.0
  Se  Se3  1  0.0  0.92  0.23  1.0

data_GaPt2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   5.22
_cell_angle_alpha   111.59
_cell_angle_beta   111.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaPt2Se
_chemical_formula_sum   'Ga1 Pt2 Se1'
_cell_volume   65.83
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.54  0.0  0.54  1.0
  Pt  Pt2  1  0.77  0.0  0.69  1.0
  Se  Se3  1  0.69  0.92  0.69  1.0

Ga Pt Pt Se