data_[Ca4Sn3Pt1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sn  1.9600  1.4500  0.8300
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.4848]
_cell_length_b [4.6269]
_cell_length_c [11.2520]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ca4Sn3Pt]
_chemical_formula_sum '[Ca4 Sn3 Pt1]'
_cell_volume [233.4901]
_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  0.8638  1.0
  Ca  Ca1  1  0.0000  0.5000  0.3587  1.0
  Ca  Ca2  1  0.5000  0.0000  0.1226  1.0
  Ca  Ca3  1  0.5000  0.5000  0.6613  1.0
  Sn  Sn4  1  0.0000  0.0000  0.5815  1.0
  Sn  Sn5  1  0.0000  0.5000  0.0658  1.0
  Sn  Sn6  1  0.5000  0.0000  0.4131  1.0
  Pt  Pt7  1  0.5000  0.5000  0.9332  1.0
]