data_Nd(CoAs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.88
_cell_angle_alpha   139.7
_cell_angle_beta   139.7
_cell_angle_gamma   58.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd(CoAs)2
_chemical_formula_sum   'Nd1 Co2 As2'
_cell_volume   84.43
_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
  Nd  Nd0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.03  0.0  0.57  1.0
  Co  Co2  1  0.0  0.03  0.57  1.0
  As  As3  1  0.0  0.0  0.75  1.0
  As  As4  1  0.0  0.0  0.53  1.0

data_Nd(CoAs)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   119.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nd(CoAs)2
_chemical_formula_sum   'Nd2 Co4 As4'
_cell_volume   168.86
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Nd  Nd0  2  0.0  0.0  0.0  1.0
  Co  Co1  4  0.01  0.01  0.46  1.0
  As  As2  2  0.0  0.0  0.25  1.0
  As  As3  2  0.0  0.0  0.47  1.0

Nd Co Co As As