data_Ca2AsPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   122.43
_cell_angle_beta   122.43
_cell_angle_gamma   85.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2AsPt
_chemical_formula_sum   'Ca2 As1 Pt1'
_cell_volume   89.58
_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  Ca1  1  0.45  0.0  0.86  1.0
  Ca  Ca2  1  0.0  0.45  0.86  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.73  1.0

data_Ca2AsPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.93
_cell_length_b   6.93
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   132.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ca2AsPt
_chemical_formula_sum   'Ca4 As2 Pt2'
_cell_volume   179.16
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.36  0.23  0.59  1.0
  As  As1  2  0.0  0.0  0.0  1.0
  Pt  Pt2  2  0.27  0.0  0.27  1.0

Ca Ca As Pt