data_KAs2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57
_cell_length_b   3.57
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAs2Pt
_chemical_formula_sum   'K1 As2 Pt1'
_cell_volume   90.35
_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
  K  K2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.49  0.0  0.72  1.0
  As  As1  1  0.49  0.0  0.36  1.0
  Pt  Pt3  1  0.0  0.0  0.54  1.0

data_KAs2Pt
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   3.57
_cell_length_b   3.57
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   KAs2Pt
_chemical_formula_sum   'K1 As2 Pt1'
_cell_volume   90.39
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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
  K  K0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.5  0.0  0.36  1.0
  As  As2  1  0.5  0.0  0.72  1.0
  Pt  Pt3  1  0.0  0.0  0.54  1.0

K As As Pt
K As As Pt 0 1 - o - 0 1 o o - 0 2 - o o 0 2 o o o 0 3 o o - 1 3 o o o 1 3 + o o 1 2 o o o 2 3 o o o 2 3 + o o 