data_[Ca1Pm1Sm2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pm  1.1300  1.8500  1.1100
  Sm  1.1700  1.8500  1.2290
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3293]
_cell_length_b [4.2277]
_cell_length_c [7.3390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4318]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CaPm(SmAs2)2]
_chemical_formula_sum '[Ca1 Pm1 Sm2 As4]'
_cell_volume [214.4540]
_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  0.5000  0.0000  0.5000  1
  Pm  Pm1  1  0.0000  0.5000  0.5000  1
  Sm  Sm2  1  0.0000  0.0000  0.0000  1
  Sm  Sm3  1  0.5000  0.5000  0.0000  1
  As  As4  2  0.2465  0.5000  0.2455  1
  As  As5  2  0.2495  0.0000  0.7525  1
]