data_Mn2AsPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   136.5
_cell_angle_beta   136.5
_cell_angle_gamma   63.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2AsPt
_chemical_formula_sum   'Mn2 As1 Pt1'
_cell_volume   59.57
_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  Mn1  1  0.0  0.86  0.14  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.28  1.0
  Pt  Pt3  1  0.86  0.0  0.14  1.0

data_Mn2AsPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   3.73
_cell_length_c   5.03
_cell_angle_alpha   111.75
_cell_angle_beta   111.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2AsPt
_chemical_formula_sum   'Mn2 As1 Pt1'
_cell_volume   59.57
_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
  Mn  Mn1  1  0.72  0.86  0.72  1.0
  As  As2  1  0.72  0.0  0.72  1.0
  Pt  Pt3  1  0.86  0.0  0.72  1.0

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