data_MnAs2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   124.46
_cell_angle_beta   119.65
_cell_angle_gamma   86.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAs2Pt
_chemical_formula_sum   'Mn1 As2 Pt1'
_cell_volume   64.32
_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
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.12  0.0  0.68  1.0
  As  As1  1  0.0  0.29  0.63  1.0
  Pt  Pt3  1  0.0  0.0  0.31  1.0

data_MnAs2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   60.35
_cell_angle_beta   62.23
_cell_angle_gamma   62.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAs2Pt
_chemical_formula_sum   'Mn1 As2 Pt1'
_cell_volume   64.32
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.0  0.88  0.68  1.0
  As  As2  1  0.29  0.0  0.34  1.0
  Pt  Pt3  1  0.0  -0.0  0.31  1.0

Mn As As Pt