data_MoAs2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.76
_cell_angle_alpha   104.22
_cell_angle_beta   104.22
_cell_angle_gamma   43.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoAs2Pt
_chemical_formula_sum   'Mo1 As2 Pt1'
_cell_volume   66.98
_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
  Mo  Mo2  1  0.63  0.0  0.82  1.0
  As  As0  1  1.0  0.0  0.13  1.0
  As  As1  1  0.18  0.0  0.95  1.0
  Pt  Pt3  1  0.13  0.0  0.98  1.0

data_MoAs2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.6
_cell_length_c   4.76
_cell_angle_alpha   104.22
_cell_angle_beta   90.0
_cell_angle_gamma   111.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoAs2Pt
_chemical_formula_sum   'Mo1 As2 Pt1'
_cell_volume   66.98
_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
  Mo  Mo0  1  0.0  0.37  0.18  1.0
  As  As1  1  0.0  0.0  0.87  1.0
  As  As2  1  0.0  0.82  0.05  1.0
  Pt  Pt3  1  0.0  0.87  0.02  1.0

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