data_[Cs2Pm1Ho1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pm  1.1300  1.8500  1.1100
  Ho  1.2300  1.7500  1.0410
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1969]
_cell_length_b [4.1534]
_cell_length_c [8.4260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5165]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Cs2PmHoS4]
_chemical_formula_sum '[Cs2 Pm1 Ho1 S4]'
_cell_volume [241.4740]
_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
[
  Cs  Cs0  1  0.0000  0.5000  0.5000  1
  Cs  Cs1  1  0.5000  0.0000  0.5000  1
  Pm  Pm2  1  0.0000  0.0000  0.0000  1
  Ho  Ho3  1  0.5000  0.5000  0.0000  1
  S  S4  2  0.2350  0.5000  0.1844  1
  S  S5  2  0.2795  0.0000  0.8181  1
]