data_[Mn2Mo2Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Mo  2.1600  1.4500  0.7750
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.5577]
_cell_length_b [2.6857]
_cell_length_c [6.1942]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9967]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MnMoPt]
_chemical_formula_sum '[Mn2 Mo2 Pt2]'
_cell_volume [87.9323]
_cell_formula_units_Z [2]
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  2  0.3354  0.2500  0.0242  1
  Mo  Mo1  2  0.0713  0.7500  0.2389  1
  Pt  Pt2  2  0.3622  0.2500  0.6243  1
]