data_[Ca2As4Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  As  2.1800  1.1500  0.6600
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.3955]
_cell_length_b [4.6423]
_cell_length_c [8.6607]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3878]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaAs2Pt]
_chemical_formula_sum '[Ca2 As4 Pt2]'
_cell_volume [171.1814]
_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
[
  Ca  Ca0  2  0.3949  0.2500  0.7856  1
  As  As1  2  0.0178  0.7500  0.9348  1
  As  As2  2  0.2472  0.7500  0.4885  1
  Pt  Pt3  2  0.1809  0.2500  0.3589  1
]