data_[Pm4Ni1As1Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4830]
_cell_length_b [4.0501]
_cell_length_c [7.6472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1441]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pm4NiAsBr2]
_chemical_formula_sum '[Pm4 Ni1 As1 Br2]'
_cell_volume [221.4654]
_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
[
  Pm  Pm0  2  0.2117  0.5000  0.1984  1
  Pm  Pm1  2  0.2553  0.0000  0.7881  1
  Ni  Ni2  1  0.0000  0.0000  0.0000  1
  As  As3  1  0.5000  0.5000  0.0000  1
  Br  Br4  1  0.0000  0.5000  0.5000  1
  Br  Br5  1  0.5000  0.0000  0.5000  1
]