data_MnPtSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.75
_cell_length_c   3.02
_cell_angle_alpha   76.12
_cell_angle_beta   73.64
_cell_angle_gamma   30.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPtSe
_chemical_formula_sum   'Mn1 Pt1 Se1'
_cell_volume   48.8
_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  0.04  0.22  0.73  1.0
  Pt  Pt1  1  0.04  0.22  0.01  1.0
  Se  Se2  1  0.04  0.22  0.77  1.0

data_MnPtSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.08
_cell_length_b   10.75
_cell_length_c   3.02
_cell_angle_alpha   90.0
_cell_angle_beta   132.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnPtSe
_chemical_formula_sum   'Mn2 Pt2 Se2'
_cell_volume   97.61
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.22  0.0  0.23  1.0
  Pt  Pt1  2  0.22  0.0  0.95  1.0
  Se  Se2  2  0.22  0.0  0.19  1.0

Mn Pt Se