data_[Ca1As2Pt1]
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 [Pm]
_cell_length_a [4.4797]
_cell_length_b [4.3976]
_cell_length_c [4.6982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2068]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CaAs2Pt]
_chemical_formula_sum '[Ca1 As2 Pt1]'
_cell_volume [91.8226]
_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  0.4915  0.0000  0.4581  1
  As  As1  1  0.1495  0.5000  0.7732  1
  As  As2  1  0.8912  0.0000  0.0012  1
  Pt  Pt3  1  0.9678  0.5000  0.2677  1
]