data_[La1P2Pt1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  P  2.1900  1.0000  0.5500
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.3166]
_cell_length_b [4.4756]
_cell_length_c [4.4779]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4778]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LaP2Pt]
_chemical_formula_sum '[La1 P2 Pt1]'
_cell_volume [86.3502]
_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
[
  La  La0  1  0.2549  0.5000  0.8067  1
  P  P1  1  0.7721  0.5000  0.2716  1
  P  P2  1  0.8151  0.0000  0.9618  1
  Pt  Pt3  1  0.6578  0.0000  0.4598  1
]