data_[Ac4Er4Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Er  1.2400  1.7500  1.0300
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9930]
_cell_length_b [27.1331]
_cell_length_c [4.3462]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [AcErPt3]
_chemical_formula_sum '[Ac4 Er4 Pt12]'
_cell_volume [470.8789]
_cell_formula_units_Z [4]
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
[
  Ac  Ac0  4  0.0000  0.0756  0.7500  1
  Er  Er1  4  0.0000  0.2078  0.2500  1
  Pt  Pt2  4  0.0000  0.3105  0.2500  1
  Pt  Pt3  4  0.0000  0.3717  0.7500  1
  Pt  Pt4  4  0.0000  0.4702  0.7500  1
]