data_[Ca1Ac2Pm1As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ac  1.1000  1.9500  1.2600
  Pm  1.1300  1.8500  1.1100
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5635]
_cell_length_b [4.4331]
_cell_length_c [7.6825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8003]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CaAc2PmAs4]
_chemical_formula_sum '[Ca1 Ac2 Pm1 As4]'
_cell_volume [242.3617]
_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  0.5000  0.0000  1
  Ac  Ac1  1  0.0000  0.0000  0.0000  1
  Ac  Ac2  1  0.0000  0.5000  0.5000  1
  Pm  Pm3  1  0.5000  0.0000  0.5000  1
  As  As4  2  0.2634  0.0000  0.7511  1
  As  As5  2  0.2650  0.5000  0.2583  1
]