data_[Ca1Sb2Pt1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sb  2.0500  1.4500  0.8300
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.3267]
_cell_length_b [5.1638]
_cell_length_c [5.5857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [CaSb2Pt]
_chemical_formula_sum '[Ca1 Sb2 Pt1]'
_cell_volume [95.9550]
_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
[
  Ca  Ca0  1  0.0000  0.0000  0.5082  1
  Sb  Sb1  1  0.5000  0.0000  0.0318  1
  Sb  Sb2  1  0.5000  0.5000  0.7224  1
  Pt  Pt3  1  0.5000  0.5000  0.2375  1
]